Coumarin, 3,4-diamino-
TL;DR: Coumarin, 3,4-diamino- (CAS 38464-23-2) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diaminochromen-2-one
Also Known As: 3,4-Diaminocoumarin, 3,4-diaminochromen-2-one, 3,4-diamino-2H-chromen-2-one, COUMARIN, 3,4-DIAMINO-, 3,4-diamino-chromen-2-one
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 38464-23-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)N)N |
| InChIKey | BBVQKTUQIJKCAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin, 3,4-diamino- (CAS 38464-23-2), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 3,4-diaminochromen-2-one.
Chemical Property Profile of Coumarin, 3,4-diamino-
Property Insights of Coumarin, 3,4-diamino-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3,4-diamino-. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3,4-diamino-. Following Lipinski's Rule of Five, Coumarin, 3,4-diamino- has 2 hydrogen bond donor(s) and 4 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 Coumarin, 3,4-diamino-?
The CAS number of Coumarin, 3,4-diamino- is 38464-23-2.
What is the molecular formula of Coumarin, 3,4-diamino-?
The molecular formula of Coumarin, 3,4-diamino- is C9H8N2O2.
What is the molecular weight of Coumarin, 3,4-diamino-?
The molecular weight of Coumarin, 3,4-diamino- is 176.06 g/mol.
Where can I buy Coumarin, 3,4-diamino-?
You can request a quote for Coumarin, 3,4-diamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3,4-diamino-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3,4-diamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.