ChemDiv3_009005
TL;DR: ChemDiv3_009005 (CAS 851716-48-8) is a chemical compound with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-acetylsulfanylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
Also Known As: ChemDiv3_009005, IDI1_026915, F0620-0009, (Z)-methyl 2-((2-(acetylthio)acetyl)imino)-3-methyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl (2Z)-2-{[2-(acetylsulfanyl)acetyl]imino}-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C14H14N2O4S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 1.7334 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0395 |
| Heavy Atoms | 22 |
| Complexity | 819.8474 |
Chemical Identifiers
| CAS Number | 851716-48-8 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)C |
Product Overview
ChemDiv3_009005 (CAS 851716-48-8), with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol. IUPAC: methyl 2-(2-acetylsulfanylacetyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of ChemDiv3_009005
Property Insights of ChemDiv3_009005
The XLogP value of 1.7334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009005. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009005. Following Lipinski's Rule of Five, ChemDiv3_009005 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_009005?
The CAS number of ChemDiv3_009005 is 851716-48-8.
What is the molecular formula of ChemDiv3_009005?
The molecular formula of ChemDiv3_009005 is C14H14N2O4S2.
What is the molecular weight of ChemDiv3_009005?
The molecular weight of ChemDiv3_009005 is 338.04 g/mol.
Where can I buy ChemDiv3_009005?
You can request a quote for ChemDiv3_009005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009005?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.