Chlorojanerin
TL;DR: Chlorojanerin (CAS 64205-85-2) is a chemical compound with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Also Known As: Chlorojanerin, chlorjanerin, J2.351.585G, [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate, ((3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-4-yl) 2-(hydroxymethyl)prop-2-enoate
| Molecular Formula | C19H23ClO7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11322 |
| Heavy Atoms | 27 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 64205-85-2 |
|---|---|
| SMILES | C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]([C@@]3(CCl)O)O)OC(=O)C2=C)OC(=O)C(=C)CO |
| InChIKey | UHEMKMBRGXUBMJ-URUZQALBSA-N |
Product Overview
Chlorojanerin (CAS 64205-85-2), with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol. IUPAC: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate.
Chemical Property Profile of Chlorojanerin
Property Insights of Chlorojanerin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorojanerin. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorojanerin. Following Lipinski's Rule of Five, Chlorojanerin has 3 hydrogen bond donor(s) and 7 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 Chlorojanerin?
The CAS number of Chlorojanerin is 64205-85-2.
What is the molecular formula of Chlorojanerin?
The molecular formula of Chlorojanerin is C19H23ClO7.
What is the molecular weight of Chlorojanerin?
The molecular weight of Chlorojanerin is 398.11 g/mol.
Where can I buy Chlorojanerin?
You can request a quote for Chlorojanerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorojanerin?
Yes, KEHONG BIO provides custom synthesis services for Chlorojanerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.