C8H8ClN3O4S
TL;DR: C8H8ClN3O4S (CAS 64486-18-6) is a chemical compound with molecular formula C8H8ClN3O4S and molecular weight 276.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
Also Known As: 2-alpha- thiazol-4-aceticacid, EINECS 262-471-0, 2-(Chloroacetamido)-alpha-(methoxyimino)thiazol-4-acetic acid, 4-Thiazoleacetic acid,2-[(2-chloroacetyl)amino]-a-(methoxyimino)-, (2Z)-{2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid
| Molecular Formula | C8H8ClN3O4S |
|---|---|
| Molecular Weight | 276.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.9924 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 64486-18-6 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)NC(=O)CCl)C(=O)O |
| InChIKey | JVFVSVLCXCDOPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C8H8ClN3O4S (CAS 64486-18-6), with molecular formula C8H8ClN3O4S and molecular weight 276.99 g/mol. IUPAC: 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid.
Chemical Property Profile of C8H8ClN3O4S
Property Insights of C8H8ClN3O4S
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C8H8ClN3O4S. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C8H8ClN3O4S. Following Lipinski's Rule of Five, C8H8ClN3O4S has 2 hydrogen bond donor(s) and 7 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 C8H8ClN3O4S?
The CAS number of C8H8ClN3O4S is 64486-18-6.
What is the molecular formula of C8H8ClN3O4S?
The molecular formula of C8H8ClN3O4S is C8H8ClN3O4S.
What is the molecular weight of C8H8ClN3O4S?
The molecular weight of C8H8ClN3O4S is 276.99 g/mol.
Where can I buy C8H8ClN3O4S?
You can request a quote for C8H8ClN3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H8ClN3O4S?
Yes, KEHONG BIO provides custom synthesis services for C8H8ClN3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.