海松酸
TL;DR: 海松酸 (CAS 127-27-5) 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.
海松酸
7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Also Known As: PIMARIC ACID, Continentalic acid, Usic acid, d-Pimaric acid, Dextropimaric acid
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.5 |
| 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 | 534.0 |
Chemical Identifiers
| CAS Number | 127-27-5 |
|---|---|
| SMILES | CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C |
| InChIKey | MHVJRKBZMUDEEV-UHFFFAOYSA-N |
Product Overview
海松酸 (CAS 127-27-5), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid.
Chemical Property Profile of 海松酸
Property Insights of 海松酸
The XLogP value of 5.5 indicates that 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, 海松酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 海松酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海松酸?
The CAS number of 海松酸 is 127-27-5.
What is the molecular formula of 海松酸?
The molecular formula of 海松酸 is C20H30O2.
What is the molecular weight of 海松酸?
The molecular weight of 海松酸 is 302.22 g/mol.
Where can I buy 海松酸?
You can request a quote for 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 海松酸?
Yes, KEHONG BIO provides custom synthesis services for 海松酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.