Clavutriolin
TL;DR: Clavutriolin (CAS 111233-44-4) is a chemical compound with molecular formula C20H33ClO4 and molecular weight 372.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-(hydroxymethyl)-15-(2-hydroxypropan-2-yl)-12-methyl-9-methylidene-2-oxatricyclo[10.3.0.01,3]pentadecan-5-ol
Also Known As: Clavutriolin, 10-chloro-11-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4a-methyl-7-methylidenedodecahydro-2H-cyclopenta[1,11]cycloundeca[1,2-b]oxiren-11-ol, 3H-Cyclopenta(1,11)cycloundec(1,2-b)oxirene-3,12-dimethanol, 4-chlorododecahydro-3-hydroxy-alpha12,alpha12,9a-trimethyl-7-methylene-, (1aS-(1aR*,3S*,4R*,9aS*,12S*,12aR*))-
| Molecular Formula | C20H33ClO4 |
|---|---|
| Molecular Weight | 372.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.20673 |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 111233-44-4 |
|---|---|
| SMILES | CC12CCC(C13C(O3)CC(C(CCC(=C)CC2)Cl)(CO)O)C(C)(C)O |
| InChIKey | OHYLVSHITHVTPB-UHFFFAOYSA-N |
Product Overview
Clavutriolin (CAS 111233-44-4), with molecular formula C20H33ClO4 and molecular weight 372.21 g/mol. IUPAC: 6-chloro-5-(hydroxymethyl)-15-(2-hydroxypropan-2-yl)-12-methyl-9-methylidene-2-oxatricyclo[10.3.0.01,3]pentadecan-5-ol.
Chemical Property Profile of Clavutriolin
Property Insights of Clavutriolin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clavutriolin. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Clavutriolin. Following Lipinski's Rule of Five, Clavutriolin has 3 hydrogen bond donor(s) and 4 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 Clavutriolin?
The CAS number of Clavutriolin is 111233-44-4.
What is the molecular formula of Clavutriolin?
The molecular formula of Clavutriolin is C20H33ClO4.
What is the molecular weight of Clavutriolin?
The molecular weight of Clavutriolin is 372.21 g/mol.
Where can I buy Clavutriolin?
You can request a quote for Clavutriolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clavutriolin?
Yes, KEHONG BIO provides custom synthesis services for Clavutriolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.