methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate
TL;DR: methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate (CAS 7506-20-9) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate
Also Known As: methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate, Methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydrochrysen-1-yl)propanoate
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 7506-20-9 |
|---|---|
| SMILES | CC(=O)C1(CCC2C(C1CCC(=O)OC)(CCC3(C2(CCC4(C3CC(CC4)(C)C)C)C)C)C)C |
| InChIKey | DGXAVHZYUWXIIE-UHFFFAOYSA-N |
Product Overview
methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate (CAS 7506-20-9), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate.
Chemical Property Profile of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate
Property Insights of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate
The XLogP value of 8.8 indicates that methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate has 0 hydrogen bond donor(s) and 3 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-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate?
The CAS number of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate is 7506-20-9.
What is the molecular formula of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate?
The molecular formula of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate is C31H52O3.
What is the molecular weight of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate?
The molecular weight of methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate is 472.39 g/mol.
Where can I buy methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate?
You can request a quote for methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-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-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.