Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
TL;DR: Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester (CAS 83920-73-4) is a chemical compound with molecular formula C35H42O9 and molecular weight 606.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(acetyloxymethyl)-1,6-dihydroxy-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (E)-2-methylbut-2-enoate
Also Known As: Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
| Molecular Formula | C35H42O9 |
|---|---|
| Molecular Weight | 606.28 g/mol |
| LogP | 3.8132 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 606.2829 |
| Heavy Atoms | 44 |
| Complexity | 1473.7883 |
Chemical Identifiers
| CAS Number | 83920-73-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCC1(C2C1(CC(C3(C2C=C(CC4(C3C=C(C4=O)C)O)COC(=O)C)O)C)OC(=O)CC5=CC=CC=C5)C |
Product Overview
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester (CAS 83920-73-4), with molecular formula C35H42O9 and molecular weight 606.28 g/mol. IUPAC: [8-(acetyloxymethyl)-1,6-dihydroxy-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
Property Insights of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
The XLogP value of 3.8132 indicates that Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester?
The CAS number of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester is 83920-73-4.
What is the molecular formula of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester?
The molecular formula of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester is C35H42O9.
What is the molecular weight of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester?
The molecular weight of Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester is 606.28 g/mol.
Where can I buy Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester?
You can request a quote for Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.