6-(苄硫基)嘧啶-2,4-二胺
TL;DR: 6-(苄硫基)嘧啶-2,4-二胺 (CAS 99864-74-1) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(苄硫基)嘧啶-2,4-二胺
6-benzylsulfanylpyrimidine-2,4-diamine
Also Known As: 6-(benzylsulfanyl)pyrimidine-2,4-diamine, 6-(benzylsulfanyl)-2,4-diaminopyrimidine, 6-benzylsulfanylpyrimidine-2,4-diamine, 2,4-diamino-6-(benzylthio)pyrimidin-1-ium, AX5
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 99864-74-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC(=C2)N)N |
| InChIKey | ATPMWVFWJFZLJM-UHFFFAOYSA-N |
Product Overview
6-(苄硫基)嘧啶-2,4-二胺 (CAS 99864-74-1), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: 6-benzylsulfanylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-(苄硫基)嘧啶-2,4-二胺
Property Insights of 6-(苄硫基)嘧啶-2,4-二胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(苄硫基)嘧啶-2,4-二胺. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(苄硫基)嘧啶-2,4-二胺. Following Lipinski's Rule of Five, 6-(苄硫基)嘧啶-2,4-二胺 has 2 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 6-(苄硫基)嘧啶-2,4-二胺?
The CAS number of 6-(苄硫基)嘧啶-2,4-二胺 is 99864-74-1.
What is the molecular formula of 6-(苄硫基)嘧啶-2,4-二胺?
The molecular formula of 6-(苄硫基)嘧啶-2,4-二胺 is C11H12N4S.
What is the molecular weight of 6-(苄硫基)嘧啶-2,4-二胺?
The molecular weight of 6-(苄硫基)嘧啶-2,4-二胺 is 232.08 g/mol.
Where can I buy 6-(苄硫基)嘧啶-2,4-二胺?
You can request a quote for 6-(苄硫基)嘧啶-2,4-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(苄硫基)嘧啶-2,4-二胺?
Yes, KEHONG BIO provides custom synthesis services for 6-(苄硫基)嘧啶-2,4-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.