3-Amino-4'-methylpsoralen
TL;DR: 3-Amino-4'-methylpsoralen (CAS 79418-45-4) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methylfuro[3,2-g]chromen-7-one
Also Known As: 3-amino-4'-methylpsoralen, 6-amino-3-methylfuro[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 6-amino-3-methyl-, 6-Amino-3-methyl-7H-furo[3,2-g][1]benzopyran-7-one
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 79418-45-4 |
|---|---|
| SMILES | CC1=COC2=C1C=C3C=C(C(=O)OC3=C2)N |
| InChIKey | ZULUAOGOHQKSOP-UHFFFAOYSA-N |
Product Overview
3-Amino-4'-methylpsoralen (CAS 79418-45-4), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: 6-amino-3-methylfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 3-Amino-4'-methylpsoralen
Property Insights of 3-Amino-4'-methylpsoralen
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4'-methylpsoralen. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4'-methylpsoralen. Following Lipinski's Rule of Five, 3-Amino-4'-methylpsoralen has 1 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 3-Amino-4'-methylpsoralen?
The CAS number of 3-Amino-4'-methylpsoralen is 79418-45-4.
What is the molecular formula of 3-Amino-4'-methylpsoralen?
The molecular formula of 3-Amino-4'-methylpsoralen is C12H9NO3.
What is the molecular weight of 3-Amino-4'-methylpsoralen?
The molecular weight of 3-Amino-4'-methylpsoralen is 215.06 g/mol.
Where can I buy 3-Amino-4'-methylpsoralen?
You can request a quote for 3-Amino-4'-methylpsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4'-methylpsoralen?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4'-methylpsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.