AB00781992-01
TL;DR: AB00781992-01 (CAS 949666-55-1) 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-(3,4-dimethylphenyl)propanamide
Also Known As: AB00781992-01, 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3,4-dimethylphenyl)propanamide, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-(3,4-dimethylphenyl)propanamide
| Molecular Formula | C18H23N3OS |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 4.00348 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1562 |
| Heavy Atoms | 23 |
| Complexity | 705.1969 |
Chemical Identifiers
| CAS Number | 949666-55-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)C |
Product Overview
AB00781992-01 (CAS 949666-55-1), with molecular formula C18H23N3OS and molecular weight 329.16 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3,4-dimethylphenyl)propanamide.
Chemical Property Profile of AB00781992-01
Property Insights of AB00781992-01
The XLogP value of 4.00348 indicates that AB00781992-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00781992-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00781992-01 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 AB00781992-01?
The CAS number of AB00781992-01 is 949666-55-1.
What is the molecular formula of AB00781992-01?
The molecular formula of AB00781992-01 is C18H23N3OS.
What is the molecular weight of AB00781992-01?
The molecular weight of AB00781992-01 is 329.16 g/mol.
Where can I buy AB00781992-01?
You can request a quote for AB00781992-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00781992-01?
Yes, KEHONG BIO provides custom synthesis services for AB00781992-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.