4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline
TL;DR: 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline (CAS 904813-84-9) is a chemical compound with molecular formula C15H17N3 and molecular weight 239.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)aniline
Also Known As: 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline, 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)aniline, 4-(2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-2-YL)-PHENYLAMINE, 4-(2,3,4,5-Tetrahydro-1H-1,5-benzodiazepin-2-yl)benzenamine, 2-(4-Aminophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
| Molecular Formula | C15H17N3 |
|---|---|
| Molecular Weight | 239.14 g/mol |
| LogP | 3.2376 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.14224 |
| Heavy Atoms | 18 |
| Complexity | 533.6899 |
Chemical Identifiers
| CAS Number | 904813-84-9 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2NC1C3=CC=C(C=C3)N |
Product Overview
4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline (CAS 904813-84-9), with molecular formula C15H17N3 and molecular weight 239.14 g/mol. IUPAC: 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)aniline.
Chemical Property Profile of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline
Property Insights of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline
The XLogP value of 3.2376 indicates that 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline has 3 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-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline?
The CAS number of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline is 904813-84-9.
What is the molecular formula of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline?
The molecular formula of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline is C15H17N3.
What is the molecular weight of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline?
The molecular weight of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline is 239.14 g/mol.
Where can I buy 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline?
You can request a quote for 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.