AB00684646-01
TL;DR: AB00684646-01 (CAS 851716-58-0) is a chemical compound with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Also Known As: AB00684646-01, F0620-0031, (Z)-methyl 2-(2-((2-(acetylthio)acetyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[(2Z)-2-{[2-(acetylsulfanyl)acetyl]imino}-6-methoxy-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, methyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C15H16N2O5S2 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 1.5914 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.05005 |
| Heavy Atoms | 24 |
| Complexity | 853.15674 |
Chemical Identifiers
| CAS Number | 851716-58-0 |
|---|---|
| SMILES | CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)OC)CC(=O)OC |
Product Overview
AB00684646-01 (CAS 851716-58-0), with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol. IUPAC: methyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of AB00684646-01
Property Insights of AB00684646-01
The XLogP value of 1.5914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684646-01. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684646-01. Following Lipinski's Rule of Five, AB00684646-01 has 0 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 AB00684646-01?
The CAS number of AB00684646-01 is 851716-58-0.
What is the molecular formula of AB00684646-01?
The molecular formula of AB00684646-01 is C15H16N2O5S2.
What is the molecular weight of AB00684646-01?
The molecular weight of AB00684646-01 is 368.05 g/mol.
Where can I buy AB00684646-01?
You can request a quote for AB00684646-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684646-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684646-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.