2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid
TL;DR: 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid (CAS 1396964-83-2) is a chemical compound with molecular formula C13H15BrClN3O2S and molecular weight 390.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid;hydrochloride
Also Known As: 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid, 2-((6-bromoquinazolin-4-yl)amino)-4-(methylthio)butanoic acid hydrochloride, 2-[(6-bromoquinazolin-4-yl)amino]-4-(methylsulfanyl)butanoic acid hydrochloride, 2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid hydrochloride
| Molecular Formula | C13H15BrClN3O2S |
|---|---|
| Molecular Weight | 390.98 g/mol |
| LogP | 3.4323 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.97568 |
| Heavy Atoms | 21 |
| Complexity | 629.3879 |
Chemical Identifiers
| CAS Number | 1396964-83-2 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC1=NC=NC2=C1C=C(C=C2)Br.Cl |
Product Overview
2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid (CAS 1396964-83-2), with molecular formula C13H15BrClN3O2S and molecular weight 390.98 g/mol. IUPAC: 2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid;hydrochloride.
Chemical Property Profile of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid
Property Insights of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid
The XLogP value of 3.4323 indicates that 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid. Following Lipinski's Rule of Five, 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid has 2 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 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid?
The CAS number of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid is 1396964-83-2.
What is the molecular formula of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid?
The molecular formula of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid is C13H15BrClN3O2S.
What is the molecular weight of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid?
The molecular weight of 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid is 390.98 g/mol.
Where can I buy 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid?
You can request a quote for 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.