Pterosin J
TL;DR: Pterosin J (CAS 41411-02-3) is a chemical compound with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-6-(2-chloroethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
Also Known As: Pterosin J, (2S,3S)-Pterosin J, Pterosin J, (2S,3S)-, (3S,4S)-3-Isopropenyl-4-methyl-4-vinyl-cyclohexanone, (2S-trans)-6-(2-Chloroethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
| Molecular Formula | C14H17ClO2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0917 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 41411-02-3 |
|---|---|
| SMILES | C[C@H]1[C@@H](C2=C(C1=O)C(=C(C(=C2)C)CCCl)C)O |
| InChIKey | QKHXGZXWZRQICQ-ZANVPECISA-N |
Product Overview
Pterosin J (CAS 41411-02-3), with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol. IUPAC: (2S,3S)-6-(2-chloroethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one.
Chemical Property Profile of Pterosin J
Property Insights of Pterosin J
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pterosin J. With a topological polar surface area (TPSA) of 37.3 Ų, Pterosin J exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pterosin J has 1 hydrogen bond donor(s) and 2 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 Pterosin J?
The CAS number of Pterosin J is 41411-02-3.
What is the molecular formula of Pterosin J?
The molecular formula of Pterosin J is C14H17ClO2.
What is the molecular weight of Pterosin J?
The molecular weight of Pterosin J is 252.09 g/mol.
Where can I buy Pterosin J?
You can request a quote for Pterosin J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pterosin J?
Yes, KEHONG BIO provides custom synthesis services for Pterosin J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.