2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide
TL;DR: 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide (CAS 774560-46-2) is a chemical compound with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxamide
Also Known As: 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide, [2-(benzoxazol-2-ylamino)-4-methyl-6-(2-thienyl)(3,6-dihydropyrimidin-5-yl)]-N -benzamide, 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxamide, 2-(benzo[d]oxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide, 2-(benzooxazol-2-ylamino)-4-methyl-N-phenyl-6-thiophen-2-yl-3,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C23H19N5O2S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 4.9144 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.12595 |
| Heavy Atoms | 31 |
| Complexity | 1259.0276 |
Chemical Identifiers
| CAS Number | 774560-46-2 |
|---|---|
| SMILES | CC1=C(C(N=C(N1)NC2=NC3=CC=CC=C3O2)C4=CC=CS4)C(=O)NC5=CC=CC=C5 |
Product Overview
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide (CAS 774560-46-2), with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxamide.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide
Property Insights of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide
The XLogP value of 4.9144 indicates that 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide 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)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The CAS number of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide is 774560-46-2.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The molecular formula of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide is C23H19N5O2S.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
The molecular weight of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide is 429.13 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
You can request a quote for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide 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)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.