2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine
TL;DR: 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine (CAS 69540-76-7) is a chemical compound with molecular formula C14H17N3S and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-pyrrolidin-1-yl-3H-1,5-benzodiazepine
Also Known As: 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine, 4-methylsulfanyl-2-pyrrolidin-1-yl-3H-1,5-benzodiazepine, 11-methyl-11h-indeno[1,2-b]quinoxalin-11-ol, Methyl 4-(1-pyrrolidinyl)-3H-1,5-benzodiazepin-2-yl sulfide, 3H-1,5-BENZODIAZEPINE, 2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-
| Molecular Formula | C14H17N3S |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11432 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 69540-76-7 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N=C(C1)N3CCCC3 |
| InChIKey | IVMCVGIHPGDYRC-UHFFFAOYSA-N |
Product Overview
2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine (CAS 69540-76-7), with molecular formula C14H17N3S and molecular weight 259.11 g/mol. IUPAC: 4-methylsulfanyl-2-pyrrolidin-1-yl-3H-1,5-benzodiazepine.
Chemical Property Profile of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine
Property Insights of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine. With a topological polar surface area (TPSA) of 53.3 Ų, 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine has 0 hydrogen bond donor(s) and 3 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 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine?
The CAS number of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine is 69540-76-7.
What is the molecular formula of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine?
The molecular formula of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine is C14H17N3S.
What is the molecular weight of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine?
The molecular weight of 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine is 259.11 g/mol.
Where can I buy 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine?
You can request a quote for 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-4-(1-pyrrolidinyl)-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.