ChemDiv1_014222
TL;DR: ChemDiv1_014222 (CAS 389073-68-1) is a chemical compound with molecular formula C18H18N6O5S4 and molecular weight 526.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: ChemDiv1_014222, F0417-1455, 4-(morpholine-4-sulfonyl)-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 4-(morpholinosulfonyl)-N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C18H18N6O5S4 |
|---|---|
| Molecular Weight | 526.02 g/mol |
| LogP | 1.9986 |
| Topological Polar Surface Area | 143.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.02216 |
| Heavy Atoms | 33 |
| Complexity | 1207.4482 |
Chemical Identifiers
| CAS Number | 389073-68-1 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=NC=CS4 |
Product Overview
ChemDiv1_014222 (CAS 389073-68-1), with molecular formula C18H18N6O5S4 and molecular weight 526.02 g/mol. IUPAC: 4-morpholin-4-ylsulfonyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of ChemDiv1_014222
Property Insights of ChemDiv1_014222
The XLogP value of 1.9986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014222. The TPSA of 143.48 Ų indicates high polarity, suggesting ChemDiv1_014222 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014222 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_014222?
The CAS number of ChemDiv1_014222 is 389073-68-1.
What is the molecular formula of ChemDiv1_014222?
The molecular formula of ChemDiv1_014222 is C18H18N6O5S4.
What is the molecular weight of ChemDiv1_014222?
The molecular weight of ChemDiv1_014222 is 526.02 g/mol.
Where can I buy ChemDiv1_014222?
You can request a quote for ChemDiv1_014222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014222?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.