2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
TL;DR: 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one (CAS 777868-25-4) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 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-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
Also Known As: 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one, 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5-ol, 2-(benzo[d]oxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 2-(benzooxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 4.289 |
| Topological Polar Surface Area | 99.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1188.9211 |
Chemical Identifiers
| CAS Number | 777868-25-4 |
|---|---|
| SMILES | CC1(CC2=C(C(N=C(N2)NC3=NC4=CC=CC=C4O3)C5=CC(=CC=C5)O)C(=O)C1)C |
Product Overview
2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one (CAS 777868-25-4), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
Property Insights of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
The XLogP value of 4.289 indicates that 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one has 3 hydrogen bond donor(s) and 7 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-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one?
The CAS number of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one is 777868-25-4.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one?
The molecular formula of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one is C23H22N4O3.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one?
The molecular weight of 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one is 402.17 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one?
You can request a quote for 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one 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-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylamino)-4-(3-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.