ChemDiv1_004993
TL;DR: ChemDiv1_004993 (CAS 367907-08-2) is a chemical compound with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_004993, BAS 03314048, J2.819.585K, ETHYL 7-(4-CHLOROPHENYL)-5-METHYL-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 7-(4-chlorophenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C14H14ClN5O2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 2.1785 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0836 |
| Heavy Atoms | 22 |
| Complexity | 737.9464 |
Chemical Identifiers
| CAS Number | 367907-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=NN=NN2C1C3=CC=C(C=C3)Cl)C |
Product Overview
ChemDiv1_004993 (CAS 367907-08-2), with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol. IUPAC: ethyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_004993
Property Insights of ChemDiv1_004993
The XLogP value of 2.1785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004993. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004993. Following Lipinski's Rule of Five, ChemDiv1_004993 has 1 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 ChemDiv1_004993?
The CAS number of ChemDiv1_004993 is 367907-08-2.
What is the molecular formula of ChemDiv1_004993?
The molecular formula of ChemDiv1_004993 is C14H14ClN5O2.
What is the molecular weight of ChemDiv1_004993?
The molecular weight of ChemDiv1_004993 is 319.08 g/mol.
Where can I buy ChemDiv1_004993?
You can request a quote for ChemDiv1_004993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004993?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.