2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-
TL;DR: 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- (CAS 6169-76-2) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione
Also Known As: 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-, 3-(1-piperidylmethyl)benzooxazole-2-thione, 3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione, 3-(piperidylmethyl)-3-hydrobenzoxazole-2-thione, 3-(1-piperidinylmethyl)-1,3-benzoxazole-2(3H)-thione
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.40719 |
| Topological Polar Surface Area | 21.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 566.0483 |
Chemical Identifiers
| CAS Number | 6169-76-2 |
|---|---|
| SMILES | C1CCN(CC1)CN2C3=CC=CC=C3OC2=S |
Product Overview
2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- (CAS 6169-76-2), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-
Property Insights of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-
The XLogP value of 3.40719 indicates that 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.31 Ų, 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- 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 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-?
The CAS number of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- is 6169-76-2.
What is the molecular formula of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-?
The molecular formula of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- is C13H16N2OS.
What is the molecular weight of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-?
The molecular weight of 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- is 248.10 g/mol.
Where can I buy 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-?
You can request a quote for 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolethione, 3-(1-piperidinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.