12-Chlorodehydroabietic acid
TL;DR: 12-Chlorodehydroabietic acid (CAS 65310-45-4) is a chemical compound with molecular formula C20H27ClO2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Also Known As: 12-Chlorodehydroabietic acid, Chlorodehydroabietic, 12-Chlorodehydroabietic acide, 12-Chloroabieta-8,11,13-trien-18-oic acid, 1,3,4-Thiadiazolium, 2-amino-3-methyl-, iodide
| Molecular Formula | C20H27ClO2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.16995 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 65310-45-4 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)Cl |
| InChIKey | LRHCLIUTYPHWLV-MISYRCLQSA-N |
Product Overview
12-Chlorodehydroabietic acid (CAS 65310-45-4), with molecular formula C20H27ClO2 and molecular weight 334.17 g/mol. IUPAC: (1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of 12-Chlorodehydroabietic acid
Property Insights of 12-Chlorodehydroabietic acid
The XLogP value of 6.2 indicates that 12-Chlorodehydroabietic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12-Chlorodehydroabietic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Chlorodehydroabietic acid 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 12-Chlorodehydroabietic acid?
The CAS number of 12-Chlorodehydroabietic acid is 65310-45-4.
What is the molecular formula of 12-Chlorodehydroabietic acid?
The molecular formula of 12-Chlorodehydroabietic acid is C20H27ClO2.
What is the molecular weight of 12-Chlorodehydroabietic acid?
The molecular weight of 12-Chlorodehydroabietic acid is 334.17 g/mol.
Where can I buy 12-Chlorodehydroabietic acid?
You can request a quote for 12-Chlorodehydroabietic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Chlorodehydroabietic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Chlorodehydroabietic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.