AB00786581-01
TL;DR: AB00786581-01 (CAS 949202-10-2) is a chemical compound with molecular formula C16H17Cl2N3OS and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
Also Known As: AB00786581-01, N-(3,4-dichlorophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide, N-(3,4-dichlorophenyl)-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanamide
| Molecular Formula | C16H17Cl2N3OS |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 4.69344 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.04694 |
| Heavy Atoms | 23 |
| Complexity | 714.25555 |
Chemical Identifiers
| CAS Number | 949202-10-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
AB00786581-01 (CAS 949202-10-2), with molecular formula C16H17Cl2N3OS and molecular weight 369.05 g/mol. IUPAC: N-(3,4-dichlorophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
Chemical Property Profile of AB00786581-01
Property Insights of AB00786581-01
The XLogP value of 4.69344 indicates that AB00786581-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00786581-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00786581-01 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 AB00786581-01?
The CAS number of AB00786581-01 is 949202-10-2.
What is the molecular formula of AB00786581-01?
The molecular formula of AB00786581-01 is C16H17Cl2N3OS.
What is the molecular weight of AB00786581-01?
The molecular weight of AB00786581-01 is 369.05 g/mol.
Where can I buy AB00786581-01?
You can request a quote for AB00786581-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00786581-01?
Yes, KEHONG BIO provides custom synthesis services for AB00786581-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.