9N-571S
TL;DR: 9N-571S (CAS 478247-30-2) is a chemical compound with molecular formula C27H26N2O2S2 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine
Also Known As: 9N-571S, 4-{[4-(tert-butyl)phenyl]sulfanyl}-5-[(4-methylphenyl)sulfonyl]-2-phenylpyrimidine, 4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine, 4-[(4-tert-butylphenyl)sulfanyl]-5-(4-methylbenzenesulfonyl)-2-phenylpyrimidine, 5-(4-methylphenyl)sulfonyl-2-phenyl-4-(4-tert-butylphenyl)sulfanyl-pyrimidine
| Molecular Formula | C27H26N2O2S2 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 6.73352 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1436 |
| Heavy Atoms | 33 |
| Complexity | 1358.8077 |
Chemical Identifiers
| CAS Number | 478247-30-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4 |
Product Overview
9N-571S (CAS 478247-30-2), with molecular formula C27H26N2O2S2 and molecular weight 474.14 g/mol. IUPAC: 4-(4-tert-butylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine.
Chemical Property Profile of 9N-571S
Property Insights of 9N-571S
The XLogP value of 6.73352 indicates that 9N-571S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 9N-571S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-571S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9N-571S?
The CAS number of 9N-571S is 478247-30-2.
What is the molecular formula of 9N-571S?
The molecular formula of 9N-571S is C27H26N2O2S2.
What is the molecular weight of 9N-571S?
The molecular weight of 9N-571S is 474.14 g/mol.
Where can I buy 9N-571S?
You can request a quote for 9N-571S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-571S?
Yes, KEHONG BIO provides custom synthesis services for 9N-571S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.