1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-
TL;DR: 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- (CAS 147441-52-9) is a chemical compound with molecular formula C9H9BrOS and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-bromophenyl)-1,3-oxathiolane
Also Known As: (2S)-2-(4-bromophenyl)-1,3-oxathiolane, 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-, 2-(4-bromophenyl)-1,3-oxathiolane, 2alpha-(4-Bromophenyl)-1,3-oxathiolane
| Molecular Formula | C9H9BrOS |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.95575 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 147441-52-9 |
|---|---|
| SMILES | C1CS[C@H](O1)C2=CC=C(C=C2)Br |
| InChIKey | JKSWDFDFGUDMQB-VIFPVBQESA-N |
Product Overview
1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- (CAS 147441-52-9), with molecular formula C9H9BrOS and molecular weight 243.96 g/mol. IUPAC: (2S)-2-(4-bromophenyl)-1,3-oxathiolane.
Chemical Property Profile of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-
Property Insights of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-. With a topological polar surface area (TPSA) of 34.5 Ų, 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- has 0 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 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-?
The CAS number of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- is 147441-52-9.
What is the molecular formula of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-?
The molecular formula of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- is C9H9BrOS.
What is the molecular weight of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-?
The molecular weight of 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- is 243.96 g/mol.
Where can I buy 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-?
You can request a quote for 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolane, 2-(4-bromophenyl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.