![3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol structure](/static/products/3062/306290-80-2.webp)
3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol
TL;DR: 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol (CAS 306290-80-2) is a chemical compound with molecular formula C13H16BrN3O and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ol
Also Known As: VU0493845-1, F0020-1328, 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol, 3-(4-bromophenyl)-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ol, 3-(4-bromophenyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ol
| Molecular Formula | C13H16BrN3O |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.3444 |
| Topological Polar Surface Area | 47.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.04767 |
| Heavy Atoms | 18 |
| Complexity | 473.62964 |
Chemical Identifiers
| CAS Number | 306290-80-2 |
|---|---|
| SMILES | C1CCC2=NNC(N2CC1)(C3=CC=C(C=C3)Br)O |
Product Overview
3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol (CAS 306290-80-2), with molecular formula C13H16BrN3O and molecular weight 309.05 g/mol. IUPAC: 3-(4-bromophenyl)-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ol.
Chemical Property Profile of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol
Property Insights of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol
The XLogP value of 2.3444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol. With a topological polar surface area (TPSA) of 47.86 Ų, 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol 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 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol?
The CAS number of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol is 306290-80-2.
What is the molecular formula of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol?
The molecular formula of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol is C13H16BrN3O.
What is the molecular weight of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol?
The molecular weight of 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol is 309.05 g/mol.
Where can I buy 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol?
You can request a quote for 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.