ChemDiv1_012337
TL;DR: ChemDiv1_012337 (CAS 309969-07-1) is a chemical compound with molecular formula C25H26N6O6S2 and molecular weight 570.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide
Also Known As: ChemDiv1_012337, F0772-1064, N-((4-(2,5-dimethoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3,5-dimethoxybenzamide, N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide, N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide
| Molecular Formula | C25H26N6O6S2 |
|---|---|
| Molecular Weight | 570.14 g/mol |
| LogP | 3.419 |
| Topological Polar Surface Area | 138.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 570.1355 |
| Heavy Atoms | 39 |
| Complexity | 1420.8383 |
Chemical Identifiers
| CAS Number | 309969-07-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC(=CC(=C4)OC)OC |
Product Overview
ChemDiv1_012337 (CAS 309969-07-1), with molecular formula C25H26N6O6S2 and molecular weight 570.14 g/mol. IUPAC: N-[[4-(2,5-dimethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of ChemDiv1_012337
Property Insights of ChemDiv1_012337
The XLogP value of 3.419 indicates that ChemDiv1_012337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012337. Following Lipinski's Rule of Five, ChemDiv1_012337 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012337?
The CAS number of ChemDiv1_012337 is 309969-07-1.
What is the molecular formula of ChemDiv1_012337?
The molecular formula of ChemDiv1_012337 is C25H26N6O6S2.
What is the molecular weight of ChemDiv1_012337?
The molecular weight of ChemDiv1_012337 is 570.14 g/mol.
Where can I buy ChemDiv1_012337?
You can request a quote for ChemDiv1_012337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012337?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.