异柏油酸
TL;DR: 异柏油酸 (CAS 1909-91-7) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异柏油酸
(1S,4aR,5S,8aR)-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Also Known As: Isocupressic acid
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 1909-91-7 |
|---|---|
| SMILES | CC(=CCO)CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C |
| InChIKey | DOYKMKZYLAAOGH-CUDHKJQZSA-N |
Product Overview
异柏油酸 (CAS 1909-91-7), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: (1S,4aR,5S,8aR)-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid.
Chemical Property Profile of 异柏油酸
Property Insights of 异柏油酸
The XLogP value of 4.6 indicates that 异柏油酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 异柏油酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异柏油酸 has 2 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 异柏油酸?
The CAS number of 异柏油酸 is 1909-91-7.
What is the molecular formula of 异柏油酸?
The molecular formula of 异柏油酸 is C20H32O3.
What is the molecular weight of 异柏油酸?
The molecular weight of 异柏油酸 is 320.24 g/mol.
Where can I buy 异柏油酸?
You can request a quote for 异柏油酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异柏油酸?
Yes, KEHONG BIO provides custom synthesis services for 异柏油酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.