2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-
TL;DR: 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- (CAS 5698-82-8) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholin-4-ylmethyl)-1,3-benzoxazole-2-thione
Also Known As: 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-, 3-morpholinomethyl-2-thiono-benzoxazole, 3-Morpholinomethyl-3H-benzoxazol-2-thion, 3-(morpholin-4-ylmethyl)-1,3-benzoxazole-2-thione, 3-(4-morpholinylmethyl)-1,3-benzoxazole-2(3H)-thione
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.25349 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 569.13446 |
Chemical Identifiers
| CAS Number | 5698-82-8 |
|---|---|
| SMILES | C1COCCN1CN2C3=CC=CC=C3OC2=S |
Product Overview
2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- (CAS 5698-82-8), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 3-(morpholin-4-ylmethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-
Property Insights of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-
The XLogP value of 2.25349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-. With a topological polar surface area (TPSA) of 30.54 Ų, 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- has 0 hydrogen bond donor(s) and 4 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-(4-morpholinylmethyl)-?
The CAS number of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- is 5698-82-8.
What is the molecular formula of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-?
The molecular formula of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- is C12H14N2O2S.
What is the molecular weight of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-?
The molecular weight of 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- is 250.08 g/mol.
Where can I buy 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)-?
You can request a quote for 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- 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-(4-morpholinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolethione, 3-(4-morpholinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.