![methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate structure](/static/products/442/442570-54-9.png)
methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
TL;DR: methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 442570-54-9) is a chemical compound with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(furan-2-yl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-(3-(furan-2-yl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[3-(2-furyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[9-(furan-2-yl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate
| Molecular Formula | C31H32N2O5 |
|---|---|
| Molecular Weight | 512.23 g/mol |
| LogP | 6.5471 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.23114 |
| Heavy Atoms | 38 |
| Complexity | 1357.1714 |
Chemical Identifiers
| CAS Number | 442570-54-9 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 442570-54-9), with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol. IUPAC: methyl 4-[9-(furan-2-yl)-5-hexanoyl-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Property Insights of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
The XLogP value of 6.5471 indicates that methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate has 1 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 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The CAS number of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 442570-54-9.
What is the molecular formula of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular formula of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is C31H32N2O5.
What is the molecular weight of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular weight of methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 512.23 g/mol.
Where can I buy methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
You can request a quote for methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(furan-2-yl)-10-hexanoyl-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.