4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride
TL;DR: 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride (CAS 34197-46-1) is a chemical compound with molecular formula C18H16ClN3O4 and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: MUGB, 4-Methylumbelliferyl 4-guanidinobenzoate Hydrochloride, 4-Methylumbelliferyl 4-guanidinobenzoate hydrochloride hydrate, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride, 2,2,2-TRIFLUOROETHYLDIMETHYLCARBAMATE
| Molecular Formula | C18H16ClN3O4 |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 2.64732 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.08295 |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 34197-46-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.Cl |
| InChIKey | DAFWZROYEOVJAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride (CAS 34197-46-1), with molecular formula C18H16ClN3O4 and molecular weight 373.08 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride
Property Insights of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride
The XLogP value of 2.64732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride. Following Lipinski's Rule of Five, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride has 3 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-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride?
The CAS number of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride is 34197-46-1.
What is the molecular formula of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride?
The molecular formula of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride is C18H16ClN3O4.
What is the molecular weight of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride?
The molecular weight of 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride is 373.08 g/mol.
Where can I buy 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride?
You can request a quote for 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.