ChemDiv1_012645
TL;DR: ChemDiv1_012645 (CAS 310450-69-2) is a chemical compound with molecular formula C25H22N6O5S2 and molecular weight 550.11 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-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_012645, F0772-2503, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C25H22N6O5S2 |
|---|---|
| Molecular Weight | 550.11 g/mol |
| LogP | 4.148 |
| Topological Polar Surface Area | 133.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.1093 |
| Heavy Atoms | 38 |
| Complexity | 1547.4291 |
Chemical Identifiers
| CAS Number | 310450-69-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=CO5 |
Product Overview
ChemDiv1_012645 (CAS 310450-69-2), with molecular formula C25H22N6O5S2 and molecular weight 550.11 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_012645
Property Insights of ChemDiv1_012645
The XLogP value of 4.148 indicates that ChemDiv1_012645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012645. Following Lipinski's Rule of Five, ChemDiv1_012645 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012645?
The CAS number of ChemDiv1_012645 is 310450-69-2.
What is the molecular formula of ChemDiv1_012645?
The molecular formula of ChemDiv1_012645 is C25H22N6O5S2.
What is the molecular weight of ChemDiv1_012645?
The molecular weight of ChemDiv1_012645 is 550.11 g/mol.
Where can I buy ChemDiv1_012645?
You can request a quote for ChemDiv1_012645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.