![4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine structure](/static/products/6966/696625-94-2.webp)
4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine
TL;DR: 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine (CAS 696625-94-2) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-[3-(tetrazol-1-yl)phenyl]methanone
Also Known As: 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine, SDCCGMLS-0023353.P002, morpholin-4-yl-[3-(tetrazol-1-yl)phenyl]methanone, (3-(1H-tetrazol-1-yl)phenyl)(morpholino)methanone, morpholin-4-yl 3-(1,2,3,4-tetraazolyl)phenyl ketone
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 0.1347 |
| Topological Polar Surface Area | 73.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 563.25854 |
Chemical Identifiers
| CAS Number | 696625-94-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC(=CC=C2)N3C=NN=N3 |
Product Overview
4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine (CAS 696625-94-2), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: morpholin-4-yl-[3-(tetrazol-1-yl)phenyl]methanone.
Chemical Property Profile of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine
Property Insights of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine
The XLogP value of 0.1347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine. The TPSA of 73.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine. Following Lipinski's Rule of Five, 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine has 0 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-[3-(1H-tetrazol-1-yl)benzoyl]morpholine?
The CAS number of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine is 696625-94-2.
What is the molecular formula of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine?
The molecular formula of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine is C12H13N5O2.
What is the molecular weight of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine?
The molecular weight of 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine is 259.11 g/mol.
Where can I buy 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine?
You can request a quote for 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(1H-tetrazol-1-yl)benzoyl]morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.