Methyl abieta-8(14),13(15)-dien-18-oate
TL;DR: Methyl abieta-8(14),13(15)-dien-18-oate (CAS 3310-97-2) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Also Known As: METHYL NEOABIETATE, Neoabietic acid, methyl ester, Methyl abieta-8(14),13(15)-dien-18-oate, Methyl abieta-8(14),13(15)-dien-18-oate #, Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-, methyl ester
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 3310-97-2 |
|---|---|
| SMILES | CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OC)C)C |
| InChIKey | XLNYKQDSHLEWFW-UHFFFAOYSA-N |
Product Overview
Methyl abieta-8(14),13(15)-dien-18-oate (CAS 3310-97-2), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: methyl 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of Methyl abieta-8(14),13(15)-dien-18-oate
Property Insights of Methyl abieta-8(14),13(15)-dien-18-oate
The XLogP value of 5.4 indicates that Methyl abieta-8(14),13(15)-dien-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl abieta-8(14),13(15)-dien-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl abieta-8(14),13(15)-dien-18-oate 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 Methyl abieta-8(14),13(15)-dien-18-oate?
The CAS number of Methyl abieta-8(14),13(15)-dien-18-oate is 3310-97-2.
What is the molecular formula of Methyl abieta-8(14),13(15)-dien-18-oate?
The molecular formula of Methyl abieta-8(14),13(15)-dien-18-oate is C21H32O2.
What is the molecular weight of Methyl abieta-8(14),13(15)-dien-18-oate?
The molecular weight of Methyl abieta-8(14),13(15)-dien-18-oate is 316.24 g/mol.
Where can I buy Methyl abieta-8(14),13(15)-dien-18-oate?
You can request a quote for Methyl abieta-8(14),13(15)-dien-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl abieta-8(14),13(15)-dien-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl abieta-8(14),13(15)-dien-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.