3-bromo-BOC benzylamine
TL;DR: 3-bromo-BOC benzylamine (CAS 171667-99-5) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid
Also Known As: 3-bromo-BOC benzylamine, N-(5-Methyl-7-phenyl-4,7-dihydro-1,2,4-triazolo(1,5-a)pyrimidin-2-yl)succinaminic acid, Butanoic acid, 4-((4,7-dihydro-5-methyl-7-phenyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)amino)-4-oxo-, 3-[(4-METHYL-2-PHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-3,5,7-TRIEN-8- YL)CARBAMOYL]PROPANOIC ACID, 4-((5-Methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 2.0001 |
| Topological Polar Surface Area | 109.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 797.29913 |
Chemical Identifiers
| CAS Number | 171667-99-5 |
|---|---|
| SMILES | CC1=CC(N2C(=NC(=N2)NC(=O)CCC(=O)O)N1)C3=CC=CC=C3 |
Product Overview
3-bromo-BOC benzylamine (CAS 171667-99-5), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 4-[(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 3-bromo-BOC benzylamine
Property Insights of 3-bromo-BOC benzylamine
The XLogP value of 2.0001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-BOC benzylamine. The TPSA of 109.14 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 3 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 171667-99-5.
What is the molecular formula of 3-bromo-BOC benzylamine?
The molecular formula of 3-bromo-BOC benzylamine is C16H17N5O3.
What is the molecular weight of 3-bromo-BOC benzylamine?
The molecular weight of 3-bromo-BOC benzylamine is 327.13 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.