AB00679898-01
TL;DR: AB00679898-01 (CAS 887213-71-0) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: AB00679898-01, F2585-0176, N-(3,4-dimethoxyphenethyl)-2-((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 1.54652 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 791.7027 |
Chemical Identifiers
| CAS Number | 887213-71-0 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC |
Product Overview
AB00679898-01 (CAS 887213-71-0), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00679898-01
Property Insights of AB00679898-01
The XLogP value of 1.54652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679898-01. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679898-01. Following Lipinski's Rule of Five, AB00679898-01 has 2 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 AB00679898-01?
The CAS number of AB00679898-01 is 887213-71-0.
What is the molecular formula of AB00679898-01?
The molecular formula of AB00679898-01 is C17H21N3O4S.
What is the molecular weight of AB00679898-01?
The molecular weight of AB00679898-01 is 363.13 g/mol.
Where can I buy AB00679898-01?
You can request a quote for AB00679898-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679898-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679898-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.