AB00685947-01
TL;DR: AB00685947-01 (CAS 887205-72-3) is a chemical compound with molecular formula C17H14N4O7S2 and molecular weight 450.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: AB00685947-01, F1366-1197, (Z)-methyl 2-(2-((3-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[(2Z)-2-[(3-nitrobenzoyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, methyl 2-[2-(3-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C17H14N4O7S2 |
|---|---|
| Molecular Weight | 450.03 g/mol |
| LogP | 1.1725 |
| Topological Polar Surface Area | 163.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0304 |
| Heavy Atoms | 30 |
| Complexity | 1355.929 |
Chemical Identifiers
| CAS Number | 887205-72-3 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AB00685947-01 (CAS 887205-72-3), with molecular formula C17H14N4O7S2 and molecular weight 450.03 g/mol. IUPAC: methyl 2-[2-(3-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of AB00685947-01
Property Insights of AB00685947-01
The XLogP value of 1.1725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685947-01. The TPSA of 163.96 Ų indicates high polarity, suggesting AB00685947-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00685947-01 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 AB00685947-01?
The CAS number of AB00685947-01 is 887205-72-3.
What is the molecular formula of AB00685947-01?
The molecular formula of AB00685947-01 is C17H14N4O7S2.
What is the molecular weight of AB00685947-01?
The molecular weight of AB00685947-01 is 450.03 g/mol.
Where can I buy AB00685947-01?
You can request a quote for AB00685947-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685947-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685947-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.