ChemDiv1_012377
TL;DR: ChemDiv1_012377 (CAS 310449-18-4) is a chemical compound with molecular formula C25H24FN7O4S3 and molecular weight 601.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-fluorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: ChemDiv1_012377, F0721-0823, N-((4-(4-fluorophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[[4-(4-fluorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-{[4-(4-FLUOROPHENYL)-5-({[(1,3-THIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-4-(PYRROLIDINE-1-SULFONYL)BENZAMIDE
| Molecular Formula | C25H24FN7O4S3 |
|---|---|
| Molecular Weight | 601.10 g/mol |
| LogP | 3.3082 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 601.1036 |
| Heavy Atoms | 40 |
| Complexity | 1586.2828 |
Chemical Identifiers
| CAS Number | 310449-18-4 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)F)SCC(=O)NC5=NC=CS5 |
Product Overview
ChemDiv1_012377 (CAS 310449-18-4), with molecular formula C25H24FN7O4S3 and molecular weight 601.10 g/mol. IUPAC: N-[[4-(4-fluorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of ChemDiv1_012377
Property Insights of ChemDiv1_012377
The XLogP value of 3.3082 indicates that ChemDiv1_012377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012377. Following Lipinski's Rule of Five, ChemDiv1_012377 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012377?
The CAS number of ChemDiv1_012377 is 310449-18-4.
What is the molecular formula of ChemDiv1_012377?
The molecular formula of ChemDiv1_012377 is C25H24FN7O4S3.
What is the molecular weight of ChemDiv1_012377?
The molecular weight of ChemDiv1_012377 is 601.10 g/mol.
Where can I buy ChemDiv1_012377?
You can request a quote for ChemDiv1_012377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012377?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.