BAS 07100472
TL;DR: BAS 07100472 (CAS 686281-32-3) is a chemical compound with molecular formula C19H20N4O3 and molecular weight 352.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Also Known As: BAS 07100472, methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate, A3816/0162004, methyl 4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate, methyl 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
| Molecular Formula | C19H20N4O3 |
|---|---|
| Molecular Weight | 352.15 g/mol |
| LogP | 2.7228 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.15353 |
| Heavy Atoms | 26 |
| Complexity | 924.5158 |
Chemical Identifiers
| CAS Number | 686281-32-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC=N3)N2)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C |
Product Overview
BAS 07100472 (CAS 686281-32-3), with molecular formula C19H20N4O3 and molecular weight 352.15 g/mol. IUPAC: methyl 4-(6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate.
Chemical Property Profile of BAS 07100472
Property Insights of BAS 07100472
The XLogP value of 2.7228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07100472. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07100472. Following Lipinski's Rule of Five, BAS 07100472 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 BAS 07100472?
The CAS number of BAS 07100472 is 686281-32-3.
What is the molecular formula of BAS 07100472?
The molecular formula of BAS 07100472 is C19H20N4O3.
What is the molecular weight of BAS 07100472?
The molecular weight of BAS 07100472 is 352.15 g/mol.
Where can I buy BAS 07100472?
You can request a quote for BAS 07100472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07100472?
Yes, KEHONG BIO provides custom synthesis services for BAS 07100472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.