Dichlorodehydroabietic acid
TL;DR: Dichlorodehydroabietic acid (CAS 57055-39-7) 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.
methyl (1R,4aS,10aR)-1,2-dichloro-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: Dichlorodehydroabietic acid, Dichlordehydroabietic Acid, methyl (1R,4aS,10aR)-1,2-dichloro-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate, 1-Phenanthrenecarboxylic acid, dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-, 1-Phenanthrenecarboxylic acid, dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1theta-(1alpha,4abeta,10aalpha))-
| Molecular Formula | C20H26Cl2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 5.1819 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.13098 |
| Heavy Atoms | 24 |
| Complexity | 657.039 |
Chemical Identifiers
| CAS Number | 57055-39-7 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC([C@@]([C@@H]3CC2)(C(=O)OC)Cl)Cl)C |
Product Overview
Dichlorodehydroabietic acid (CAS 57055-39-7), with molecular formula C20H26Cl2O2 and molecular weight 368.13 g/mol. IUPAC: methyl (1R,4aS,10aR)-1,2-dichloro-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Dichlorodehydroabietic acid
Property Insights of Dichlorodehydroabietic acid
The XLogP value of 5.1819 indicates that Dichlorodehydroabietic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dichlorodehydroabietic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichlorodehydroabietic acid has 0 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 Dichlorodehydroabietic acid?
The CAS number of Dichlorodehydroabietic acid is 57055-39-7.
What is the molecular formula of Dichlorodehydroabietic acid?
The molecular formula of Dichlorodehydroabietic acid is C20H26Cl2O2.
What is the molecular weight of Dichlorodehydroabietic acid?
The molecular weight of Dichlorodehydroabietic acid is 368.13 g/mol.
Where can I buy Dichlorodehydroabietic acid?
You can request a quote for Dichlorodehydroabietic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichlorodehydroabietic acid?
Yes, KEHONG BIO provides custom synthesis services for Dichlorodehydroabietic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.