AB00782411-01
TL;DR: AB00782411-01 (CAS 949362-80-5) is a chemical compound with molecular formula C18H23N3OS and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
Also Known As: AB00782411-01, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-[(4-methylphenyl)methyl]propanamide, 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
| Molecular Formula | C18H23N3OS |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.37276 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1562 |
| Heavy Atoms | 23 |
| Complexity | 660.1612 |
Chemical Identifiers
| CAS Number | 949362-80-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C |
Product Overview
AB00782411-01 (CAS 949362-80-5), with molecular formula C18H23N3OS and molecular weight 329.16 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide.
Chemical Property Profile of AB00782411-01
Property Insights of AB00782411-01
The XLogP value of 3.37276 indicates that AB00782411-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00782411-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00782411-01 has 1 hydrogen bond donor(s) and 4 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 AB00782411-01?
The CAS number of AB00782411-01 is 949362-80-5.
What is the molecular formula of AB00782411-01?
The molecular formula of AB00782411-01 is C18H23N3OS.
What is the molecular weight of AB00782411-01?
The molecular weight of AB00782411-01 is 329.16 g/mol.
Where can I buy AB00782411-01?
You can request a quote for AB00782411-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00782411-01?
Yes, KEHONG BIO provides custom synthesis services for AB00782411-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.