ChemDiv1_004978
TL;DR: ChemDiv1_004978 (CAS 441289-84-5) is a chemical compound with molecular formula C19H17N7O3 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(4-methylphenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: ChemDiv1_004978, F0497-0168, 5-METHYL-N-(4-METHYLPHENYL)-7-(4-NITROPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE, 5-methyl-7-(4-nitrophenyl)-N-(p-tolyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide, 5-methyl-N-(4-methylphenyl)-7-(4-nitrophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C19H17N7O3 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 2.81732 |
| Topological Polar Surface Area | 127.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13928 |
| Heavy Atoms | 29 |
| Complexity | 1117.4644 |
Chemical Identifiers
| CAS Number | 441289-84-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC3=NN=NN3C2C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
ChemDiv1_004978 (CAS 441289-84-5), with molecular formula C19H17N7O3 and molecular weight 391.14 g/mol. IUPAC: 5-methyl-N-(4-methylphenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of ChemDiv1_004978
Property Insights of ChemDiv1_004978
The XLogP value of 2.81732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004978. The TPSA of 127.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004978. Following Lipinski's Rule of Five, ChemDiv1_004978 has 2 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 ChemDiv1_004978?
The CAS number of ChemDiv1_004978 is 441289-84-5.
What is the molecular formula of ChemDiv1_004978?
The molecular formula of ChemDiv1_004978 is C19H17N7O3.
What is the molecular weight of ChemDiv1_004978?
The molecular weight of ChemDiv1_004978 is 391.14 g/mol.
Where can I buy ChemDiv1_004978?
You can request a quote for ChemDiv1_004978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004978?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.