ASN 13779631
TL;DR: ASN 13779631 (CAS 887675-27-6) is a chemical compound with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
Also Known As: ASN 13779631, 1-(3-chloro-4-methylphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide, [1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-N-[5-(methoxymethyl)(1,3,4- thiadiazol-2-yl)]carboxamide, 1-(3-Chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methoxymethyl-[1,3,4]thiadiazol-2-yl)-amide
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 2.63792 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 810.42755 |
Chemical Identifiers
| CAS Number | 887675-27-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)COC)Cl |
Product Overview
ASN 13779631 (CAS 887675-27-6), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of ASN 13779631
Property Insights of ASN 13779631
The XLogP value of 2.63792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 13779631. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13779631. Following Lipinski's Rule of Five, ASN 13779631 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 ASN 13779631?
The CAS number of ASN 13779631 is 887675-27-6.
What is the molecular formula of ASN 13779631?
The molecular formula of ASN 13779631 is C16H17ClN4O3S.
What is the molecular weight of ASN 13779631?
The molecular weight of ASN 13779631 is 380.07 g/mol.
Where can I buy ASN 13779631?
You can request a quote for ASN 13779631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13779631?
Yes, KEHONG BIO provides custom synthesis services for ASN 13779631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.