2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
TL;DR: 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CAS 904813-50-9) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Also Known As: 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 2-THIOPHEN-2-YL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPINE, 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 2-(4-hydroxyphenyl)-2-morpholinoacetonitrile, 2-Thien-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.7169 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 464.54465 |
Chemical Identifiers
| CAS Number | 904813-50-9 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2NC1C3=CC=CS3 |
Product Overview
2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CAS 904813-50-9), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.
Chemical Property Profile of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Property Insights of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
The XLogP value of 3.7169 indicates that 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine has 2 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-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The CAS number of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is 904813-50-9.
What is the molecular formula of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The molecular formula of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is C13H14N2S.
What is the molecular weight of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The molecular weight of 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is 230.09 g/mol.
Where can I buy 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
You can request a quote for 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-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-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.