Curcarabranol A
TL;DR: Curcarabranol A (CAS 213746-16-8) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one
Also Known As: Curcarabranol A, Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4S,6R,7R)-, (1S,4S,6R,7R)-4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-(3-OXOBUTYL)BICYCLO[4.1.0]HEPTAN-3-ONE, 4-(2-Hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one, (1R,3S,6S,7R)-3-(2-hydroxypropan-2-yl)-6-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-4-one
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 213746-16-8 |
|---|---|
| SMILES | CC(=O)CC[C@@H]1[C@@H]2[C@]1(CC(=O)[C@@H](C2)C(C)(C)O)C |
| InChIKey | FARHRLFSUJIINR-BLTAXRJOSA-N |
Product Overview
Curcarabranol A (CAS 213746-16-8), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: (1S,4S,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one.
Chemical Property Profile of Curcarabranol A
Property Insights of Curcarabranol A
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curcarabranol A. With a topological polar surface area (TPSA) of 54.4 Ų, Curcarabranol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Curcarabranol A has 1 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 Curcarabranol A?
The CAS number of Curcarabranol A is 213746-16-8.
What is the molecular formula of Curcarabranol A?
The molecular formula of Curcarabranol A is C15H24O3.
What is the molecular weight of Curcarabranol A?
The molecular weight of Curcarabranol A is 252.17 g/mol.
Where can I buy Curcarabranol A?
You can request a quote for Curcarabranol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curcarabranol A?
Yes, KEHONG BIO provides custom synthesis services for Curcarabranol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.