4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-
TL;DR: 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- (CAS 38338-94-2) is a chemical compound with molecular formula C10H5ClN4O2 and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(2H-tetrazol-5-yl)chromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-, 1-PHENYL-3-CHLORO-1-PROPYNE, 3-Chloro-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one, 2-tetrazolyl-3-chloro-4-oxo-4h-chromen, 3-chloro-2-(2H-tetrazol-5-yl)chromen-4-one
| Molecular Formula | C10H5ClN4O2 |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.0101 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 38338-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=NNN=N3)Cl |
| InChIKey | LPKGQHBYVFYNTI-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- (CAS 38338-94-2), with molecular formula C10H5ClN4O2 and molecular weight 248.01 g/mol. IUPAC: 3-chloro-2-(2H-tetrazol-5-yl)chromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-
Property Insights of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- 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 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-?
The CAS number of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- is 38338-94-2.
What is the molecular formula of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-?
The molecular formula of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- is C10H5ClN4O2.
What is the molecular weight of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-?
The molecular weight of 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- is 248.01 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-?
You can request a quote for 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 3-chloro-2-(1H-tetrazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.