4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
TL;DR: 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione (CAS 69540-73-4) is a chemical compound with molecular formula C13H15N3S and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione
Also Known As: 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione, 4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione, 4-(Pyrrolidin-1-yl)-3H-1,5-benzodiazepine-2-thiol, 4-(Pyrrolidin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione
| Molecular Formula | C13H15N3S |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.9554 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.09866 |
| Heavy Atoms | 17 |
| Complexity | 475.30786 |
Chemical Identifiers
| CAS Number | 69540-73-4 |
|---|---|
| SMILES | C1CCN(C1)C2=NC3=CC=CC=C3NC(=S)C2 |
Product Overview
4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione (CAS 69540-73-4), with molecular formula C13H15N3S and molecular weight 245.10 g/mol. IUPAC: 4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione.
Chemical Property Profile of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
Property Insights of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
The XLogP value of 2.9554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione. With a topological polar surface area (TPSA) of 27.63 Ų, 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione has 1 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 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The CAS number of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is 69540-73-4.
What is the molecular formula of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The molecular formula of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is C13H15N3S.
What is the molecular weight of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The molecular weight of 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is 245.10 g/mol.
Where can I buy 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
You can request a quote for 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Pyrrolidinyl)-1,3-dihydro-2H-1,5-benzodiazepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.