3-bromo-BOC benzylamine
TL;DR: 3-bromo-BOC benzylamine (CAS 171668-01-2) is a chemical compound with molecular formula C21H17N5O2 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
Also Known As: 3-bromo-BOC benzylamine, ChemDiv1_008877, BAS 04238277, N-(5,7-Diphenyl-4,7-dihydro-1,2,4-triazolo(1,5-a)pyrimidin-2-yl)succinimide, 1-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
| Molecular Formula | C21H17N5O2 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.9875 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1382 |
| Heavy Atoms | 28 |
| Complexity | 1072.4984 |
Chemical Identifiers
| CAS Number | 171668-01-2 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=NN3C(C=C(NC3=N2)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
3-bromo-BOC benzylamine (CAS 171668-01-2), with molecular formula C21H17N5O2 and molecular weight 371.14 g/mol. IUPAC: 1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-bromo-BOC benzylamine
Property Insights of 3-bromo-BOC benzylamine
The XLogP value of 2.9875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-BOC benzylamine. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-BOC benzylamine. Following Lipinski's Rule of Five, 3-bromo-BOC benzylamine has 1 hydrogen bond donor(s) and 5 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-bromo-BOC benzylamine?
The CAS number of 3-bromo-BOC benzylamine is 171668-01-2.
What is the molecular formula of 3-bromo-BOC benzylamine?
The molecular formula of 3-bromo-BOC benzylamine is C21H17N5O2.
What is the molecular weight of 3-bromo-BOC benzylamine?
The molecular weight of 3-bromo-BOC benzylamine is 371.14 g/mol.
Where can I buy 3-bromo-BOC benzylamine?
You can request a quote for 3-bromo-BOC benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-BOC benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-BOC benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.