4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile
TL;DR: 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile (CAS 100137-41-5) is a chemical compound with molecular formula C12H10N4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-benzylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-amino-2-benzylsulfanylpyrimidine-5-carbonitrile, BAS 02538062, 4-Amino-2-benzylsulfanyl-pyrimidine-5-carbonitrile, 4-amino-2-(benzylsulfanyl)-5-pyrimidinecarbonitrile, 5-Pyrimidinecarbonitrile, 4-amino-2-[(phenylmethyl)thio]-
| Molecular Formula | C12H10N4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06262 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 100137-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)C#N |
| InChIKey | OKQFKUDLHVFDOE-UHFFFAOYSA-N |
Product Overview
4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile (CAS 100137-41-5), with molecular formula C12H10N4S and molecular weight 242.06 g/mol. IUPAC: 4-amino-2-benzylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile
Property Insights of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 5 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 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile?
The CAS number of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile is 100137-41-5.
What is the molecular formula of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile?
The molecular formula of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile is C12H10N4S.
What is the molecular weight of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile?
The molecular weight of 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile is 242.06 g/mol.
Where can I buy 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile?
You can request a quote for 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-benzylsulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.