AB00785869-01
TL;DR: AB00785869-01 (CAS 949635-91-0) is a chemical compound with molecular formula C17H20BrN3OS and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
Also Known As: AB00785869-01, N-(4-bromo-3-methylphenyl)-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanamide, N-(4-bromo-3-methylphenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
| Molecular Formula | C17H20BrN3OS |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 4.45756 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.05106 |
| Heavy Atoms | 23 |
| Complexity | 710.7687 |
Chemical Identifiers
| CAS Number | 949635-91-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)Br |
Product Overview
AB00785869-01 (CAS 949635-91-0), with molecular formula C17H20BrN3OS and molecular weight 393.05 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
Chemical Property Profile of AB00785869-01
Property Insights of AB00785869-01
The XLogP value of 4.45756 indicates that AB00785869-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00785869-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00785869-01 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 AB00785869-01?
The CAS number of AB00785869-01 is 949635-91-0.
What is the molecular formula of AB00785869-01?
The molecular formula of AB00785869-01 is C17H20BrN3OS.
What is the molecular weight of AB00785869-01?
The molecular weight of AB00785869-01 is 393.05 g/mol.
Where can I buy AB00785869-01?
You can request a quote for AB00785869-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00785869-01?
Yes, KEHONG BIO provides custom synthesis services for AB00785869-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.