AB00785864-01
TL;DR: AB00785864-01 (CAS 949352-61-8) is a chemical compound with molecular formula C17H20FN3OS and molecular weight 333.13 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-[(2-fluorophenyl)methyl]propanamide
Also Known As: AB00785864-01, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-[(2-fluorophenyl)methyl]propanamide
| Molecular Formula | C17H20FN3OS |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 3.20344 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1311 |
| Heavy Atoms | 23 |
| Complexity | 682.983 |
Chemical Identifiers
| CAS Number | 949352-61-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2F |
Product Overview
AB00785864-01 (CAS 949352-61-8), with molecular formula C17H20FN3OS and molecular weight 333.13 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]propanamide.
Chemical Property Profile of AB00785864-01
Property Insights of AB00785864-01
The XLogP value of 3.20344 indicates that AB00785864-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00785864-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00785864-01 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 AB00785864-01?
The CAS number of AB00785864-01 is 949352-61-8.
What is the molecular formula of AB00785864-01?
The molecular formula of AB00785864-01 is C17H20FN3OS.
What is the molecular weight of AB00785864-01?
The molecular weight of AB00785864-01 is 333.13 g/mol.
Where can I buy AB00785864-01?
You can request a quote for AB00785864-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00785864-01?
Yes, KEHONG BIO provides custom synthesis services for AB00785864-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.