4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
TL;DR: 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide (CAS 165611-08-5) is a chemical compound with molecular formula C19H17ClN4O2 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Also Known As: 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide, Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-5-(chloromethyl)-6,7-diphenyl-, 5-(chloromethyl)-6,7-diphenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-(Chloromethyl)-6,7-diphenyl-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-d]pyrimidine-3-carboximidic acid
| Molecular Formula | C19H17ClN4O2 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 3.3599 |
| Topological Polar Surface Area | 84.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.104 |
| Heavy Atoms | 26 |
| Complexity | 913.8033 |
Chemical Identifiers
| CAS Number | 165611-08-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C(=NO3)C(=O)N)NC(N2C4=CC=CC=C4)CCl |
Product Overview
4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide (CAS 165611-08-5), with molecular formula C19H17ClN4O2 and molecular weight 368.10 g/mol. IUPAC: 5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide.
Chemical Property Profile of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
Property Insights of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
The XLogP value of 3.3599 indicates that 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide 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 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The CAS number of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is 165611-08-5.
What is the molecular formula of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The molecular formula of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is C19H17ClN4O2.
What is the molecular weight of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The molecular weight of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is 368.10 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
You can request a quote for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.