RefChem:1071641
TL;DR: RefChem:1071641 (CAS 77127-49-2) is a chemical compound with molecular formula C10H10Cl3N3O5S and molecular weight 388.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-methoxyimino-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
Also Known As: 4-Thiazoleacetic acid, alpha-(methoxyimino)-2-(((2,2,2-trichloroethoxy)carbonyl)amino)-, methyl ester, (Z)-, Methyl (2Z)-2-methoxyimino-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetate, RefChem:1071641
| Molecular Formula | C10H10Cl3N3O5S |
|---|---|
| Molecular Weight | 388.94 g/mol |
| LogP | 2.5853 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.94067 |
| Heavy Atoms | 22 |
| Complexity | 572.3985 |
Chemical Identifiers
| CAS Number | 77127-49-2 |
|---|---|
| SMILES | COC(=O)/C(=N\OC)/C1=CSC(=N1)NC(=O)OCC(Cl)(Cl)Cl |
Product Overview
RefChem:1071641 (CAS 77127-49-2), with molecular formula C10H10Cl3N3O5S and molecular weight 388.94 g/mol. IUPAC: methyl (2Z)-2-methoxyimino-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of RefChem:1071641
Property Insights of RefChem:1071641
The XLogP value of 2.5853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071641. The TPSA of 99.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071641. Following Lipinski's Rule of Five, RefChem:1071641 has 1 hydrogen bond donor(s) and 8 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 RefChem:1071641?
The CAS number of RefChem:1071641 is 77127-49-2.
What is the molecular formula of RefChem:1071641?
The molecular formula of RefChem:1071641 is C10H10Cl3N3O5S.
What is the molecular weight of RefChem:1071641?
The molecular weight of RefChem:1071641 is 388.94 g/mol.
Where can I buy RefChem:1071641?
You can request a quote for RefChem:1071641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071641?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.