F0417-1503
TL;DR: F0417-1503 (CAS 392299-91-1) is a chemical compound with molecular formula C18H12N6O4S3 and molecular weight 472.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: F0417-1503, N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, N-(5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide, N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, N-[5-(benzothiazol-2-ylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide
| Molecular Formula | C18H12N6O4S3 |
|---|---|
| Molecular Weight | 472.01 g/mol |
| LogP | 4.0391 |
| Topological Polar Surface Area | 140.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.0082 |
| Heavy Atoms | 31 |
| Complexity | 1255.0447 |
Chemical Identifiers
| CAS Number | 392299-91-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
F0417-1503 (CAS 392299-91-1), with molecular formula C18H12N6O4S3 and molecular weight 472.01 g/mol. IUPAC: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of F0417-1503
Property Insights of F0417-1503
The XLogP value of 4.0391 indicates that F0417-1503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.01 Ų indicates high polarity, suggesting F0417-1503 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0417-1503 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 F0417-1503?
The CAS number of F0417-1503 is 392299-91-1.
What is the molecular formula of F0417-1503?
The molecular formula of F0417-1503 is C18H12N6O4S3.
What is the molecular weight of F0417-1503?
The molecular weight of F0417-1503 is 472.01 g/mol.
Where can I buy F0417-1503?
You can request a quote for F0417-1503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-1503?
Yes, KEHONG BIO provides custom synthesis services for F0417-1503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.