3-bromo-BOC benzylamine
TL;DR: 3-bromo-BOC benzylamine (CAS 171668-02-3) is a chemical compound with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Also Known As: 3-bromo-BOC benzylamine, 1-[2-(4-METHOXYPHENYL)-4-PHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-3,5,7-TRIEN-8-YL]PYRROLIDINE-2,5-DIONE, 2,5-Pyrrolidinedione, 1-(7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-, 1-[2-(4-methoxyphenyl)-4-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5, 7-trien-8-yl]pyrrolidine-2,5-, 1-[7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
| Molecular Formula | C22H19N5O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 2.9961 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1488 |
| Heavy Atoms | 30 |
| Complexity | 1135.2759 |
Chemical Identifiers
| CAS Number | 171668-02-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)N4C(=O)CCC4=O)C5=CC=CC=C5 |
Product Overview
3-bromo-BOC benzylamine (CAS 171668-02-3), with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol. IUPAC: 1-[7-(4-methoxyphenyl)-5-phenyl-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 2.9961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-BOC benzylamine. The TPSA of 89.35 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 6 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 171668-02-3.
What is the molecular formula of 3-bromo-BOC benzylamine?
The molecular formula of 3-bromo-BOC benzylamine is C22H19N5O3.
What is the molecular weight of 3-bromo-BOC benzylamine?
The molecular weight of 3-bromo-BOC benzylamine is 401.15 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.