Carabron
TL;DR: Carabron (CAS 20914-69-6) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
Also Known As: Carabrone, Carabron, grandicin, Bromochlorophenol blue, MEGxp0_001642
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 20914-69-6 |
|---|---|
| SMILES | CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C |
| InChIKey | AGIQIKMGJVLKMA-NLRWUALESA-N |
Product Overview
Carabron (CAS 20914-69-6), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one.
Chemical Property Profile of Carabron
Property Insights of Carabron
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carabron. With a topological polar surface area (TPSA) of 43.4 Ų, Carabron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carabron 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 Carabron?
The CAS number of Carabron is 20914-69-6.
What is the molecular formula of Carabron?
The molecular formula of Carabron is C15H20O3.
What is the molecular weight of Carabron?
The molecular weight of Carabron is 248.14 g/mol.
Where can I buy Carabron?
You can request a quote for Carabron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carabron?
Yes, KEHONG BIO provides custom synthesis services for Carabron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.