Methyl 13,14-epoxyabietate
TL;DR: Methyl 13,14-epoxyabietate (CAS 55154-40-0) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1aR,3aS,4R,7aS,7bR,9aR)-1a,7a-dimethyl-9a-propan-2-yl-3a,4,5,6,7,7b,8,9-octahydro-3H-phenanthro[1,2-b]oxirene-4-carboxylate
Also Known As: Methyl 13,14-epoxyabietate, methyl (1aR,3aS,4R,7aS,7bR,9aR)-1a,7a-dimethyl-9a-propan-2-yl-3a,4,5,6,7,7b,8,9-octahydro-3H-phenanthro[1,2-b]oxirene-4-carboxylate, Phenanthro(1,2-b)oxirene-4-carboxylic acid, 1a,3,3a,4,5,6,7,7a,7b,8,9,9a-dodecahydro-4,7a-dimethyl-9a-(1-methylethyl)-, methyl ester, (1aR-(1aalpha,3abeta,4beta,7aalpha,7bbeta,9aalpha))-,, Methyl (1aR,3aS,4R,7aS,7bR,9aR)-1a,7a-dimethyl-9a-(propan-2-yl)-1a,3,3a,4,5,6,7,7a,7b,8,9,9a-dodecahydrophenanthro[1,2-b]oxirene-4-carboxylate, Methyl 1a,7a-dimethyl-9a-(propan-2-yl)-1a,3,3a,4,5,6,7,7a,7b,8,9,9a-dodecahydrophenanthro[1,2-b]oxirene-4-carboxylate
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 4.5058 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 593.8913 |
Chemical Identifiers
| CAS Number | 55154-40-0 |
|---|---|
| SMILES | CC(C)[C@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(CCC[C@H]4C(=O)OC)C)[C@]1(O2)C |
Product Overview
Methyl 13,14-epoxyabietate (CAS 55154-40-0), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: methyl (1aR,3aS,4R,7aS,7bR,9aR)-1a,7a-dimethyl-9a-propan-2-yl-3a,4,5,6,7,7b,8,9-octahydro-3H-phenanthro[1,2-b]oxirene-4-carboxylate.
Chemical Property Profile of Methyl 13,14-epoxyabietate
Property Insights of Methyl 13,14-epoxyabietate
The XLogP value of 4.5058 indicates that Methyl 13,14-epoxyabietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.83 Ų, Methyl 13,14-epoxyabietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 13,14-epoxyabietate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 13,14-epoxyabietate?
The CAS number of Methyl 13,14-epoxyabietate is 55154-40-0.
What is the molecular formula of Methyl 13,14-epoxyabietate?
The molecular formula of Methyl 13,14-epoxyabietate is C21H32O3.
What is the molecular weight of Methyl 13,14-epoxyabietate?
The molecular weight of Methyl 13,14-epoxyabietate is 332.24 g/mol.
Where can I buy Methyl 13,14-epoxyabietate?
You can request a quote for Methyl 13,14-epoxyabietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 13,14-epoxyabietate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 13,14-epoxyabietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.