5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione
TL;DR: 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione (CAS 131444-68-3) is a chemical compound with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione
Also Known As: BAS 00331507, 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione, 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione, BRD-K56043310-001-01-1, 5-chloro-3-(piperidylmethyl)-3-hydrobenzoxazole-2-thione
| Molecular Formula | C13H15ClN2OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 4.06059 |
| Topological Polar Surface Area | 21.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.05936 |
| Heavy Atoms | 18 |
| Complexity | 612.96906 |
Chemical Identifiers
| CAS Number | 131444-68-3 |
|---|---|
| SMILES | C1CCN(CC1)CN2C3=C(C=CC(=C3)Cl)OC2=S |
Product Overview
5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione (CAS 131444-68-3), with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol. IUPAC: 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione
Property Insights of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione
The XLogP value of 4.06059 indicates that 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.31 Ų, 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione has 0 hydrogen bond donor(s) and 3 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 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione?
The CAS number of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione is 131444-68-3.
What is the molecular formula of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione?
The molecular formula of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione is C13H15ClN2OS.
What is the molecular weight of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione?
The molecular weight of 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione is 282.06 g/mol.
Where can I buy 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione?
You can request a quote for 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.