9H-475S
TL;DR: 9H-475S (CAS 339109-52-3) is a chemical compound with molecular formula C23H21ClN2O and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-2-oxopyridine-3-carbonitrile
Also Known As: 9H-475S, 1-[4-(tert-butyl)benzyl]-6-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-2-oxopyridine-3-carbonitrile, 1-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-chlorophenyl)-2-oxo-1-[(4-tert-butylphenyl)methyl]pyridine-3-carbonitrile
| Molecular Formula | C23H21ClN2O |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 5.38618 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13425 |
| Heavy Atoms | 27 |
| Complexity | 1050.008 |
Chemical Identifiers
| CAS Number | 339109-52-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C(=CC=C(C2=O)C#N)C3=CC=C(C=C3)Cl |
Product Overview
9H-475S (CAS 339109-52-3), with molecular formula C23H21ClN2O and molecular weight 376.13 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 9H-475S
Property Insights of 9H-475S
The XLogP value of 5.38618 indicates that 9H-475S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 9H-475S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-475S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-475S?
The CAS number of 9H-475S is 339109-52-3.
What is the molecular formula of 9H-475S?
The molecular formula of 9H-475S is C23H21ClN2O.
What is the molecular weight of 9H-475S?
The molecular weight of 9H-475S is 376.13 g/mol.
Where can I buy 9H-475S?
You can request a quote for 9H-475S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-475S?
Yes, KEHONG BIO provides custom synthesis services for 9H-475S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.