2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
TL;DR: 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one (CAS 777869-89-3) is a chemical compound with molecular formula C22H18F2N4OS and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
Also Known As: 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one, 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one, 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydro-5(1H)-quinazolinone, 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5-ol, 2-(benzo[d]thiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
| Molecular Formula | C22H18F2N4OS |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.94 |
| Topological Polar Surface Area | 66.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.11694 |
| Heavy Atoms | 30 |
| Complexity | 1179.6055 |
Chemical Identifiers
| CAS Number | 777869-89-3 |
|---|---|
| SMILES | CC1CC2=C(C(N=C(N2)NC3=NC4=CC=CC=C4S3)C5=CC(=CC(=C5)F)F)C(=O)C1 |
Product Overview
2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one (CAS 777869-89-3), with molecular formula C22H18F2N4OS and molecular weight 424.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Property Insights of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
The XLogP value of 4.94 indicates that 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one has 2 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 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one?
The CAS number of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one is 777869-89-3.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one?
The molecular formula of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one is C22H18F2N4OS.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one?
The molecular weight of 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one is 424.12 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one?
You can request a quote for 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-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-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.