12,14-二氯脱氢松香酸
TL;DR: 12,14-二氯脱氢松香酸 (CAS 65281-77-8) is a chemical compound with molecular formula C20H26Cl2O2 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,14-二氯脱氢松香酸
(1R,4aS,10aR)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Also Known As: 12,14-DICHLORODEHYDROABIETIC ACID, Dichlorodehydroabietic, 12,14-dichlorodehydro-abietic acid, 12,14-Dichlorodehydroabietic Acid (>90%), (1R,4aS,10aR)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
| Molecular Formula | C20H26Cl2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.13098 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 65281-77-8 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1Cl)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)Cl |
| InChIKey | RKQWIQSTFSBVMQ-CDHQVMDDSA-N |
Product Overview
12,14-二氯脱氢松香酸 (CAS 65281-77-8), with molecular formula C20H26Cl2O2 and molecular weight 368.13 g/mol. IUPAC: (1R,4aS,10aR)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of 12,14-二氯脱氢松香酸
Property Insights of 12,14-二氯脱氢松香酸
The XLogP value of 6.8 indicates that 12,14-二氯脱氢松香酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12,14-二氯脱氢松香酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,14-二氯脱氢松香酸 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 12,14-二氯脱氢松香酸?
The CAS number of 12,14-二氯脱氢松香酸 is 65281-77-8.
What is the molecular formula of 12,14-二氯脱氢松香酸?
The molecular formula of 12,14-二氯脱氢松香酸 is C20H26Cl2O2.
What is the molecular weight of 12,14-二氯脱氢松香酸?
The molecular weight of 12,14-二氯脱氢松香酸 is 368.13 g/mol.
Where can I buy 12,14-二氯脱氢松香酸?
You can request a quote for 12,14-二氯脱氢松香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,14-二氯脱氢松香酸?
Yes, KEHONG BIO provides custom synthesis services for 12,14-二氯脱氢松香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.