左旋海松酸
TL;DR: 左旋海松酸 (CAS 79-54-9) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
左旋海松酸
(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Also Known As: Levopimaric acid, l-Pimaric acid, l-Sapietic acid, beta-Pimaric acid, Levopimarate
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 79-54-9 |
|---|---|
| SMILES | CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C |
| InChIKey | RWWVEQKPFPXLGL-ONCXSQPRSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
左旋海松酸 (CAS 79-54-9), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of 左旋海松酸
Property Insights of 左旋海松酸
The XLogP value of 4.8 indicates that 左旋海松酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 左旋海松酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 左旋海松酸 has 1 hydrogen bond donor(s) and 2 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 左旋海松酸?
The CAS number of 左旋海松酸 is 79-54-9.
What is the molecular formula of 左旋海松酸?
The molecular formula of 左旋海松酸 is C20H30O2.
What is the molecular weight of 左旋海松酸?
The molecular weight of 左旋海松酸 is 302.22 g/mol.
Where can I buy 左旋海松酸?
You can request a quote for 左旋海松酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 左旋海松酸?
Yes, KEHONG BIO provides custom synthesis services for 左旋海松酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.