![Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate structure](/static/products/7226/7226-48-4.webp)
Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate
TL;DR: Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate (CAS 7226-48-4) is a chemical compound with molecular formula C32H34N4O3 and molecular weight 522.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-hydroxy-12,17,22,27,27-pentamethyl-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2,7,9,11,13,15,17,19(25),20,22-undecaen-23-yl)propanoate
Also Known As: Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate
| Molecular Formula | C32H34N4O3 |
|---|---|
| Molecular Weight | 522.26 g/mol |
| LogP | 6.73052 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 522.26306 |
| Heavy Atoms | 39 |
| Complexity | 1611.344 |
Chemical Identifiers
| CAS Number | 7226-48-4 |
|---|---|
| SMILES | CC1=CC2=NC1=CC3=CC(=C(N3)C=C4C(C5CCC(=C(C5=N4)C6=NC(=C2)C(=C6CCC(=O)OC)C)O)(C)C)C |
Product Overview
Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate (CAS 7226-48-4), with molecular formula C32H34N4O3 and molecular weight 522.26 g/mol. IUPAC: methyl 3-(3-hydroxy-12,17,22,27,27-pentamethyl-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2,7,9,11,13,15,17,19(25),20,22-undecaen-23-yl)propanoate.
Chemical Property Profile of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate
Property Insights of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate
The XLogP value of 6.73052 indicates that Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate. Following Lipinski's Rule of Five, Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate?
The CAS number of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate is 7226-48-4.
What is the molecular formula of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate?
The molecular formula of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate is C32H34N4O3.
What is the molecular weight of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate?
The molecular weight of Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate is 522.26 g/mol.
Where can I buy Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate?
You can request a quote for Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2~5~(3)Z,5(6~2~)Z,6~5~(7)Z]-1~3~,1~3~,2~4~,4~4~,6~4~-pentamethyl-1~6~-oxo-1~3a~,1~4~,1~5~,1~6~-tetrahydro-1~3~H,4~1~H,6~1~H-1(7,2)-indola-2,4,6(2,5)-tripyrrolacycloheptaphane-2,5,6-trien-2~3~-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.