Mansumbinoic acid
TL;DR: Mansumbinoic acid (CAS 102848-63-5) is a chemical compound with molecular formula C22H34O2 and molecular weight 330.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Mansumbinoic acid
methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
Also Known As: Mansumbinoic acid, methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate, 1H-Benz(e)indene-6-propanoic acid, 3a,4,5,5a,6,7,8,9,9a,9b-decahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-, (3aR-(3aalpha,5abeta,6beta,7alpha,9aalpha,9bbeta))-, (5R,8R,9R,10R,13R,14R)-4,4,8,10,14-Pentamethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-cyclopenta[a]phenanthren-3-one, 3-((3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-3a,4,5,5a,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.2559 |
| Heavy Atoms | 24 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 102848-63-5 |
|---|---|
| SMILES | CC(=C)[C@H]1CC[C@@]2([C@@H]([C@H]1CCC(=O)OC)CC[C@H]3[C@]2(CC=C3)C)C |
| InChIKey | GZLOULXNCLGCGH-MYBSLXOZSA-N |
Product Overview
Mansumbinoic acid (CAS 102848-63-5), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate.
Chemical Property Profile of Mansumbinoic acid
Property Insights of Mansumbinoic acid
The XLogP value of 6.4 indicates that Mansumbinoic 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, Mansumbinoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mansumbinoic 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 Mansumbinoic acid?
The CAS number of Mansumbinoic acid is 102848-63-5.
What is the molecular formula of Mansumbinoic acid?
The molecular formula of Mansumbinoic acid is C22H34O2.
What is the molecular weight of Mansumbinoic acid?
The molecular weight of Mansumbinoic acid is 330.26 g/mol.
Where can I buy Mansumbinoic acid?
You can request a quote for Mansumbinoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mansumbinoic acid?
Yes, KEHONG BIO provides custom synthesis services for Mansumbinoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.