A3749/0158903
TL;DR: A3749/0158903 (CAS 727669-21-8) is a chemical compound with molecular formula C22H22FN5O2 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-N-(3-methylpent-1-yn-3-yl)acetamide
Also Known As: A3749/0158903, 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-N-(3-methylpent-1-yn-3-yl)acetamide, 2-(5-{4-[(2-FLUOROBENZYL)OXY]PHENYL}-2H-TETRAZOL-2-YL)-N-(3-METHYL-1-PENTYN-3-YL)ACETAMIDE, 2-(5-{4-[(2-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)-N-(3-methylpent-1-yn-3-yl)acetamide, N-(1-ethyl-1-methylprop-2-ynyl)-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}(1,2,3 ,4-tetraazol-2-yl))acetamide
| Molecular Formula | C22H22FN5O2 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 2.9763 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.17575 |
| Heavy Atoms | 30 |
| Complexity | 1057.8899 |
Chemical Identifiers
| CAS Number | 727669-21-8 |
|---|---|
| SMILES | CCC(C)(C#C)NC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3F |
Product Overview
A3749/0158903 (CAS 727669-21-8), with molecular formula C22H22FN5O2 and molecular weight 407.18 g/mol. IUPAC: 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-N-(3-methylpent-1-yn-3-yl)acetamide.
Chemical Property Profile of A3749/0158903
Property Insights of A3749/0158903
The XLogP value of 2.9763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3749/0158903. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3749/0158903. Following Lipinski's Rule of Five, A3749/0158903 has 1 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 A3749/0158903?
The CAS number of A3749/0158903 is 727669-21-8.
What is the molecular formula of A3749/0158903?
The molecular formula of A3749/0158903 is C22H22FN5O2.
What is the molecular weight of A3749/0158903?
The molecular weight of A3749/0158903 is 407.18 g/mol.
Where can I buy A3749/0158903?
You can request a quote for A3749/0158903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3749/0158903?
Yes, KEHONG BIO provides custom synthesis services for A3749/0158903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.