AB00787449-01
TL;DR: AB00787449-01 (CAS 949375-30-8) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 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-methoxyphenyl)methyl]propanamide
Also Known As: AB00787449-01, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 3.07294 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 696.1552 |
Chemical Identifiers
| CAS Number | 949375-30-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC(=CC=C2)OC |
Product Overview
AB00787449-01 (CAS 949375-30-8), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
Chemical Property Profile of AB00787449-01
Property Insights of AB00787449-01
The XLogP value of 3.07294 indicates that AB00787449-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787449-01. Following Lipinski's Rule of Five, AB00787449-01 has 1 hydrogen bond donor(s) and 5 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 AB00787449-01?
The CAS number of AB00787449-01 is 949375-30-8.
What is the molecular formula of AB00787449-01?
The molecular formula of AB00787449-01 is C18H23N3O2S.
What is the molecular weight of AB00787449-01?
The molecular weight of AB00787449-01 is 345.15 g/mol.
Where can I buy AB00787449-01?
You can request a quote for AB00787449-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787449-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787449-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.