3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione
TL;DR: 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione (CAS 286008-69-3) is a chemical compound with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-chloro-1,3-benzoxazole-2-thione
Also Known As: Maybridge4_002978, 3-benzyl-5-chloro-1,3-benzoxazole-2-thione, 3-benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione, BRD-K62649345-001-01-6
| Molecular Formula | C14H10ClNOS |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 4.66549 |
| Topological Polar Surface Area | 18.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.01715 |
| Heavy Atoms | 18 |
| Complexity | 745.325 |
Chemical Identifiers
| CAS Number | 286008-69-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)OC2=S |
Product Overview
3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione (CAS 286008-69-3), with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol. IUPAC: 3-benzyl-5-chloro-1,3-benzoxazole-2-thione.
Chemical Property Profile of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione
Property Insights of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione
The XLogP value of 4.66549 indicates that 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.07 Ų, 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione 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 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione?
The CAS number of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione is 286008-69-3.
What is the molecular formula of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione?
The molecular formula of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione is C14H10ClNOS.
What is the molecular weight of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione?
The molecular weight of 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione is 275.02 g/mol.
Where can I buy 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione?
You can request a quote for 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.