3-氧代-双去甲胆-1,4-二烯-22-酸
TL;DR: 3-氧代-双去甲胆-1,4-二烯-22-酸 (CAS 71154-85-3) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代-双去甲胆-1,4-二烯-22-酸
2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Also Known As: 3-Oxo-bisnorchola-1,4-dien-22-oic acid, 3-Oxopregna-1,4-diene-20-carboxylic acid, 20-carboxypregn-1,4-dien-3-one, Pregna-1,4-diene-20-carboxylic acid, 3-oxo-, 3-oxopregna-1,4-diene-20-carboxylicacid
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 71154-85-3 |
|---|---|
| SMILES | CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)O |
| InChIKey | OZESBBVMFLIODA-VJFOQZSSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代-双去甲胆-1,4-二烯-22-酸 (CAS 71154-85-3), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid.
Chemical Property Profile of 3-氧代-双去甲胆-1,4-二烯-22-酸
Property Insights of 3-氧代-双去甲胆-1,4-二烯-22-酸
The XLogP value of 5.0 indicates that 3-氧代-双去甲胆-1,4-二烯-22-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代-双去甲胆-1,4-二烯-22-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代-双去甲胆-1,4-二烯-22-酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-氧代-双去甲胆-1,4-二烯-22-酸?
The CAS number of 3-氧代-双去甲胆-1,4-二烯-22-酸 is 71154-85-3.
What is the molecular formula of 3-氧代-双去甲胆-1,4-二烯-22-酸?
The molecular formula of 3-氧代-双去甲胆-1,4-二烯-22-酸 is C22H30O3.
What is the molecular weight of 3-氧代-双去甲胆-1,4-二烯-22-酸?
The molecular weight of 3-氧代-双去甲胆-1,4-二烯-22-酸 is 342.22 g/mol.
Where can I buy 3-氧代-双去甲胆-1,4-二烯-22-酸?
You can request a quote for 3-氧代-双去甲胆-1,4-二烯-22-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代-双去甲胆-1,4-二烯-22-酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代-双去甲胆-1,4-二烯-22-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.