2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone
TL;DR: 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone (CAS 669718-73-4) is a chemical compound with molecular formula C23H21BrN4O2 and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
Also Known As: 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone, AO-022/42598709, 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one, 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 2-(benzo[d]oxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
| Molecular Formula | C23H21BrN4O2 |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 5.3459 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.08478 |
| Heavy Atoms | 30 |
| Complexity | 1191.676 |
Chemical Identifiers
| CAS Number | 669718-73-4 |
|---|---|
| SMILES | CC1(CC2=C(C(N=C(N2)NC3=NC4=CC=CC=C4O3)C5=CC(=CC=C5)Br)C(=O)C1)C |
Product Overview
2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone (CAS 669718-73-4), with molecular formula C23H21BrN4O2 and molecular weight 464.08 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone
Property Insights of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone
The XLogP value of 5.3459 indicates that 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone?
The CAS number of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone is 669718-73-4.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone?
The molecular formula of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone is C23H21BrN4O2.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone?
The molecular weight of 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone is 464.08 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone?
You can request a quote for 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.