Curcarabranol B
TL;DR: Curcarabranol B (CAS 213746-17-9) 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,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one
Also Known As: Curcarabranol B, (1S,4R,6R,7R)-4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-(3-OXOBUTYL)BICYCLO[4.1.0]HEPTAN-3-ONE, Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4R,6R,7R)-, (1R,3R,6S,7R)-3-(2-hydroxypropan-2-yl)-6-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-4-one, (1S,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo(4.1.0)heptan-3-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 | 213746-17-9 |
|---|---|
| SMILES | CC(=O)CC[C@@H]1[C@@H]2[C@]1(CC(=O)[C@H](C2)C(C)(C)O)C |
| InChIKey | FARHRLFSUJIINR-FJJYHAOUSA-N |
Product Overview
Curcarabranol B (CAS 213746-17-9), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: (1S,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one.
Chemical Property Profile of Curcarabranol B
Property Insights of Curcarabranol B
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curcarabranol B. With a topological polar surface area (TPSA) of 54.4 Ų, Curcarabranol B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Curcarabranol B 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 B?
The CAS number of Curcarabranol B is 213746-17-9.
What is the molecular formula of Curcarabranol B?
The molecular formula of Curcarabranol B is C15H24O3.
What is the molecular weight of Curcarabranol B?
The molecular weight of Curcarabranol B is 252.17 g/mol.
Where can I buy Curcarabranol B?
You can request a quote for Curcarabranol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curcarabranol B?
Yes, KEHONG BIO provides custom synthesis services for Curcarabranol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.