AB00684284-01
TL;DR: AB00684284-01 (CAS 392299-66-0) is a chemical compound with molecular formula C14H10N6O4S3 and molecular weight 421.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: AB00684284-01, F0417-1423, 3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 3-nitro-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 3-nitro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C14H10N6O4S3 |
|---|---|
| Molecular Weight | 421.99 g/mol |
| LogP | 2.8859 |
| Topological Polar Surface Area | 140.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.99255 |
| Heavy Atoms | 27 |
| Complexity | 974.91016 |
Chemical Identifiers
| CAS Number | 392299-66-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3 |
Product Overview
AB00684284-01 (CAS 392299-66-0), with molecular formula C14H10N6O4S3 and molecular weight 421.99 g/mol. IUPAC: 3-nitro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of AB00684284-01
Property Insights of AB00684284-01
The XLogP value of 2.8859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684284-01. The TPSA of 140.01 Ų indicates high polarity, suggesting AB00684284-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00684284-01 has 2 hydrogen bond donor(s) and 10 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 AB00684284-01?
The CAS number of AB00684284-01 is 392299-66-0.
What is the molecular formula of AB00684284-01?
The molecular formula of AB00684284-01 is C14H10N6O4S3.
What is the molecular weight of AB00684284-01?
The molecular weight of AB00684284-01 is 421.99 g/mol.
Where can I buy AB00684284-01?
You can request a quote for AB00684284-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684284-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684284-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.