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Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate
TL;DR: Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate (CAS 303147-65-1) 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-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate
Also Known As: 11K-610S, Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate, methyl 2-({2-phenyl-6-[(phenylsulfanyl)methyl]-4-pyrimidinyl}sulfanyl)benzenecarboxylate, methyl 2-({2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl}sulfanyl)benzoate, methyl2-({2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl}sulfanyl)benzoate
| Molecular Formula | C25H20N2O2S2 |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 6.3737 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.09662 |
| Heavy Atoms | 31 |
| Complexity | 1168.5216 |
Chemical Identifiers
| CAS Number | 303147-65-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC(=NC(=C2)CSC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate (CAS 303147-65-1), with molecular formula C25H20N2O2S2 and molecular weight 444.10 g/mol. IUPAC: methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate
Property Insights of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate
The XLogP value of 6.3737 indicates that Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate 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 Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate?
The CAS number of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate is 303147-65-1.
What is the molecular formula of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate?
The molecular formula of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate is C25H20N2O2S2.
What is the molecular weight of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate?
The molecular weight of Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate is 444.10 g/mol.
Where can I buy Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate?
You can request a quote for Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.