7N-317S
TL;DR: 7N-317S (CAS 478067-35-5) is a chemical compound with molecular formula C25H20N2O2S2 and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate
Also Known As: 7N-317S, methyl 2-({6-[(4-methylphenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}sulfanyl)benzenecarboxylate, methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate, methyl 2-({6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidin-4-yl}sulfanyl)benzoate, Methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate
| Molecular Formula | C25H20N2O2S2 |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 6.54102 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09662 |
| Heavy Atoms | 31 |
| Complexity | 1195.8168 |
Chemical Identifiers
| CAS Number | 478067-35-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4C(=O)OC |
Product Overview
7N-317S (CAS 478067-35-5), with molecular formula C25H20N2O2S2 and molecular weight 444.10 g/mol. IUPAC: methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate.
Chemical Property Profile of 7N-317S
Property Insights of 7N-317S
The XLogP value of 6.54102 indicates that 7N-317S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 7N-317S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-317S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7N-317S?
The CAS number of 7N-317S is 478067-35-5.
What is the molecular formula of 7N-317S?
The molecular formula of 7N-317S is C25H20N2O2S2.
What is the molecular weight of 7N-317S?
The molecular weight of 7N-317S is 444.10 g/mol.
Where can I buy 7N-317S?
You can request a quote for 7N-317S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-317S?
Yes, KEHONG BIO provides custom synthesis services for 7N-317S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.