3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
TL;DR: 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 849005-76-1) is a chemical compound with molecular formula C19H15ClN4O3 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-chloro-4-methyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Also Known As: EiM07-19281, 3-benzyl-6-chloro-4-methyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one, 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one, 7-((2H-tetrazol-5-yl)methoxy)-3-benzyl-6-chloro-4-methyl-2H-chromen-2-one, 3-BENZYL-6-CHLORO-4-METHYL-7-[(1H-1,2,3,4-TETRAZOL-5-YL)METHOXY]-2H-CHROMEN-2-ONE
| Molecular Formula | C19H15ClN4O3 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 3.43772 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.08328 |
| Heavy Atoms | 27 |
| Complexity | 1141.2987 |
Chemical Identifiers
| CAS Number | 849005-76-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=NNN=N3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 849005-76-1), with molecular formula C19H15ClN4O3 and molecular weight 382.08 g/mol. IUPAC: 3-benzyl-6-chloro-4-methyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one.
Chemical Property Profile of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
Property Insights of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
The XLogP value of 3.43772 indicates that 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one 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 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The CAS number of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 849005-76-1.
What is the molecular formula of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular formula of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is C19H15ClN4O3.
What is the molecular weight of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular weight of 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 382.08 g/mol.
Where can I buy 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
You can request a quote for 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-chloro-4-methyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.