4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
TL;DR: 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile (CAS 38563-79-0) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 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-2-carbonitrile
Also Known As: 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile, 4-Cyan-2-thienyltetrahydro-1H-benzo-1,5-diazepin, 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile, 4-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 38563-79-0 |
|---|---|
| SMILES | C1C(NC2=CC=CC=C2NC1C3=CC=CS3)C#N |
| InChIKey | QMFYSUPTPDYBCQ-UHFFFAOYSA-N |
Product Overview
4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile (CAS 38563-79-0), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile.
Chemical Property Profile of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Property Insights of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
The XLogP value of 3.1 indicates that 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile. Following Lipinski's Rule of Five, 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile has 2 hydrogen bond donor(s) and 4 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-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile?
The CAS number of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile is 38563-79-0.
What is the molecular formula of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile?
The molecular formula of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile is C14H13N3S.
What is the molecular weight of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile?
The molecular weight of 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile is 255.08 g/mol.
Where can I buy 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile?
You can request a quote for 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Thienyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.