ChemDiv2_001603
TL;DR: ChemDiv2_001603 (CAS 690960-01-1) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide
Also Known As: ChemDiv2_001603, VU0185706-6, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]propanamide
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 3.9851 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1189.6649 |
Chemical Identifiers
| CAS Number | 690960-01-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 |
Product Overview
ChemDiv2_001603 (CAS 690960-01-1), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide.
Chemical Property Profile of ChemDiv2_001603
Property Insights of ChemDiv2_001603
The XLogP value of 3.9851 indicates that ChemDiv2_001603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001603. Following Lipinski's Rule of Five, ChemDiv2_001603 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_001603?
The CAS number of ChemDiv2_001603 is 690960-01-1.
What is the molecular formula of ChemDiv2_001603?
The molecular formula of ChemDiv2_001603 is C21H18N4O3S2.
What is the molecular weight of ChemDiv2_001603?
The molecular weight of ChemDiv2_001603 is 438.08 g/mol.
Where can I buy ChemDiv2_001603?
You can request a quote for ChemDiv2_001603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001603?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.