F1366-5036
TL;DR: F1366-5036 (CAS 865249-20-3) is a chemical compound with molecular formula C19H19N3O5S3 and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-5036, methyl 2-[(2Z)-2-{[3-(phenylsulfanyl)propanoyl]imino}-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((3-(phenylthio)propanoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-benzothiazol-3-yl]acetate
| Molecular Formula | C19H19N3O5S3 |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 2.1329 |
| Topological Polar Surface Area | 120.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.04868 |
| Heavy Atoms | 30 |
| Complexity | 1247.4056 |
Chemical Identifiers
| CAS Number | 865249-20-3 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3 |
Product Overview
F1366-5036 (CAS 865249-20-3), with molecular formula C19H19N3O5S3 and molecular weight 465.05 g/mol. IUPAC: methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of F1366-5036
Property Insights of F1366-5036
The XLogP value of 2.1329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1366-5036. The TPSA of 120.82 Ų falls within the moderate polarity range, balancing permeability and solubility for F1366-5036. Following Lipinski's Rule of Five, F1366-5036 has 1 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 F1366-5036?
The CAS number of F1366-5036 is 865249-20-3.
What is the molecular formula of F1366-5036?
The molecular formula of F1366-5036 is C19H19N3O5S3.
What is the molecular weight of F1366-5036?
The molecular weight of F1366-5036 is 465.05 g/mol.
Where can I buy F1366-5036?
You can request a quote for F1366-5036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1366-5036?
Yes, KEHONG BIO provides custom synthesis services for F1366-5036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.