Cambridge id 6661100
TL;DR: Cambridge id 6661100 (CAS 431072-88-7) is a chemical compound with molecular formula C19H13ClN4O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: AB00114762-01, F3097-2580, N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide, N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide, 2-(1,3-dioxobenzo[c]azolin-2-yl)-N-{5-[(4-chlorophenyl)methyl](1,3,4-thiadiazo l-2-yl)}acetamide
| Molecular Formula | C19H13ClN4O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 3.017 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0397 |
| Heavy Atoms | 28 |
| Complexity | 1045.7926 |
Chemical Identifiers
| CAS Number | 431072-88-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)Cl |
Product Overview
Cambridge id 6661100 (CAS 431072-88-7), with molecular formula C19H13ClN4O3S and molecular weight 412.04 g/mol. IUPAC: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
Chemical Property Profile of Cambridge id 6661100
Property Insights of Cambridge id 6661100
The XLogP value of 3.017 indicates that Cambridge id 6661100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 6661100. Following Lipinski's Rule of Five, Cambridge id 6661100 has 1 hydrogen bond donor(s) and 6 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 Cambridge id 6661100?
The CAS number of Cambridge id 6661100 is 431072-88-7.
What is the molecular formula of Cambridge id 6661100?
The molecular formula of Cambridge id 6661100 is C19H13ClN4O3S.
What is the molecular weight of Cambridge id 6661100?
The molecular weight of Cambridge id 6661100 is 412.04 g/mol.
Where can I buy Cambridge id 6661100?
You can request a quote for Cambridge id 6661100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6661100?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6661100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.