Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester
TL;DR: Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester (CAS 111659-96-2) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: ACO-DI-ME-OXO-TETRADECAHYDRO-CYCLOPENTA(A)PHENANTHREN-YL-PENTANOIC ACID ME ESTER, 683-037-0, methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate, RefChem:552684
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 5.2654 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 814.8643 |
Chemical Identifiers
| CAS Number | 111659-96-2 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4=CC(=O)CCC34C)OC(=O)C)C |
Product Overview
Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester (CAS 111659-96-2), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: methyl 4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester
Property Insights of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester
The XLogP value of 5.2654 indicates that Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester. Following Lipinski's Rule of Five, Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester?
The CAS number of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester is 111659-96-2.
What is the molecular formula of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester?
The molecular formula of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester is C27H40O5.
What is the molecular weight of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester?
The molecular weight of Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester is 444.29 g/mol.
Where can I buy Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester?
You can request a quote for Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester?
Yes, KEHONG BIO provides custom synthesis services for Aco-DI-ME-oxo-tetradecahydro-cyclopenta(A)phenanthren-YL-pentanoic acid ME ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.