ChemDiv1_005123
TL;DR: ChemDiv1_005123 (CAS 420831-91-0) is a chemical compound with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_005123, J2.670.488J, F0497-0093, METHYL 5-METHYL-7-(4-NITROPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE, methyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C13H12N6O4 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 1.0432 |
| Topological Polar Surface Area | 125.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.092 |
| Heavy Atoms | 23 |
| Complexity | 810.12714 |
Chemical Identifiers
| CAS Number | 420831-91-0 |
|---|---|
| SMILES | CC1=C(C(N2C(=NN=N2)N1)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
ChemDiv1_005123 (CAS 420831-91-0), with molecular formula C13H12N6O4 and molecular weight 316.09 g/mol. IUPAC: methyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_005123
Property Insights of ChemDiv1_005123
The XLogP value of 1.0432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005123. The TPSA of 125.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005123. Following Lipinski's Rule of Five, ChemDiv1_005123 has 1 hydrogen bond donor(s) and 8 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_005123?
The CAS number of ChemDiv1_005123 is 420831-91-0.
What is the molecular formula of ChemDiv1_005123?
The molecular formula of ChemDiv1_005123 is C13H12N6O4.
What is the molecular weight of ChemDiv1_005123?
The molecular weight of ChemDiv1_005123 is 316.09 g/mol.
Where can I buy ChemDiv1_005123?
You can request a quote for ChemDiv1_005123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.