ChemDiv1_014394
TL;DR: ChemDiv1_014394 (CAS 389072-90-6) is a chemical compound with molecular formula C14H10ClN7O4S3 and molecular weight 470.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Also Known As: ChemDiv1_014394, F0509-2601, 2-chloro-N-[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide, 2-chloro-N-(5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-nitrobenzamide, 2-chloro-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
| Molecular Formula | C14H10ClN7O4S3 |
|---|---|
| Molecular Weight | 470.96 g/mol |
| LogP | 3.24272 |
| Topological Polar Surface Area | 152.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.9645 |
| Heavy Atoms | 29 |
| Complexity | 1086.8573 |
Chemical Identifiers
| CAS Number | 389072-90-6 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
ChemDiv1_014394 (CAS 389072-90-6), with molecular formula C14H10ClN7O4S3 and molecular weight 470.96 g/mol. IUPAC: 2-chloro-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide.
Chemical Property Profile of ChemDiv1_014394
Property Insights of ChemDiv1_014394
The XLogP value of 3.24272 indicates that ChemDiv1_014394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.9 Ų indicates high polarity, suggesting ChemDiv1_014394 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014394 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_014394?
The CAS number of ChemDiv1_014394 is 389072-90-6.
What is the molecular formula of ChemDiv1_014394?
The molecular formula of ChemDiv1_014394 is C14H10ClN7O4S3.
What is the molecular weight of ChemDiv1_014394?
The molecular weight of ChemDiv1_014394 is 470.96 g/mol.
Where can I buy ChemDiv1_014394?
You can request a quote for ChemDiv1_014394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.