NEOABIETIC ACID
TL;DR: NEOABIETIC ACID (CAS 471-77-2) 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.
1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Also Known As: NEOABIETIC ACID, CYCLOHEPTANONE, CTCM 189, Abieta-8(14),13(15)-dien-18-oic acid, Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 471-77-2 |
|---|---|
| SMILES | CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C |
| InChIKey | KGMSWPSAVZAMKR-UHFFFAOYSA-N |
Product Overview
NEOABIETIC ACID (CAS 471-77-2), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid.
Chemical Property Profile of NEOABIETIC ACID
Property Insights of NEOABIETIC ACID
The XLogP value of 5.1 indicates that NEOABIETIC 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, NEOABIETIC ACID exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NEOABIETIC 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 NEOABIETIC ACID?
The CAS number of NEOABIETIC ACID is 471-77-2.
What is the molecular formula of NEOABIETIC ACID?
The molecular formula of NEOABIETIC ACID is C20H30O2.
What is the molecular weight of NEOABIETIC ACID?
The molecular weight of NEOABIETIC ACID is 302.22 g/mol.
Where can I buy NEOABIETIC ACID?
You can request a quote for NEOABIETIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NEOABIETIC ACID?
Yes, KEHONG BIO provides custom synthesis services for NEOABIETIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.