Abietate
TL;DR: Abietate (CAS 10248-55-2) is a chemical compound with molecular formula C20H29O2- and molecular weight 301.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: Abietate, Sylvic acid, COPPER ABIETATE, abieta-7,13-diene-18-oate, ABIETIC ACID
| Molecular Formula | C20H29O2- |
|---|---|
| Molecular Weight | 301.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.21677 |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 10248-55-2 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C |
| InChIKey | RSWGJHLUYNHPMX-ONCXSQPRSA-M |
Product Overview
Abietate (CAS 10248-55-2), with molecular formula C20H29O2- and molecular weight 301.22 g/mol. IUPAC: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Abietate
Property Insights of Abietate
The XLogP value of 5.4 indicates that Abietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, Abietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Abietate 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 Abietate?
The CAS number of Abietate is 10248-55-2.
What is the molecular formula of Abietate?
The molecular formula of Abietate is C20H29O2-.
What is the molecular weight of Abietate?
The molecular weight of Abietate is 301.22 g/mol.
Where can I buy Abietate?
You can request a quote for Abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abietate?
Yes, KEHONG BIO provides custom synthesis services for Abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.