7-氧代脱氢松香酸
TL;DR: 7-氧代脱氢松香酸 (CAS 18684-55-4) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氧代脱氢松香酸
(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Also Known As: 7-OXODEHYDROABIETIC ACID, 7-Ketodehydroabietic acid, 7-oxocallitrisic acid, 7-ketodehydro-abietic acid, dehydroabietic acid-7-one
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 18684-55-4 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C |
| InChIKey | MSWJSDLNPCSSNW-MISYRCLQSA-N |
Product Overview
7-氧代脱氢松香酸 (CAS 18684-55-4), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid.
Chemical Property Profile of 7-氧代脱氢松香酸
Property Insights of 7-氧代脱氢松香酸
The XLogP value of 4.5 indicates that 7-氧代脱氢松香酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 7-氧代脱氢松香酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-氧代脱氢松香酸 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 7-氧代脱氢松香酸?
The CAS number of 7-氧代脱氢松香酸 is 18684-55-4.
What is the molecular formula of 7-氧代脱氢松香酸?
The molecular formula of 7-氧代脱氢松香酸 is C20H26O3.
What is the molecular weight of 7-氧代脱氢松香酸?
The molecular weight of 7-氧代脱氢松香酸 is 314.19 g/mol.
Where can I buy 7-氧代脱氢松香酸?
You can request a quote for 7-氧代脱氢松香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氧代脱氢松香酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氧代脱氢松香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.