3-((2-Aminoethyl)carbamoyl)psoralen
TL;DR: 3-((2-Aminoethyl)carbamoyl)psoralen (CAS 138488-46-7) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-7-oxofuro[3,2-g]chromene-6-carboxamide
Also Known As: (ae)CP, 3-( psoralen, 3-((2-Aminoethyl)carbamoyl)psoralen, N-(2-aminoethyl)-7-oxofuro[3,2-g]chromene-6-carboxamide, N-(2-Aminoethyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxamide
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 138488-46-7 |
|---|---|
| SMILES | C1=COC2=CC3=C(C=C21)C=C(C(=O)O3)C(=O)NCCN |
| InChIKey | FFJJCBRZBFYGKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-Aminoethyl)carbamoyl)psoralen (CAS 138488-46-7), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: N-(2-aminoethyl)-7-oxofuro[3,2-g]chromene-6-carboxamide.
Chemical Property Profile of 3-((2-Aminoethyl)carbamoyl)psoralen
Property Insights of 3-((2-Aminoethyl)carbamoyl)psoralen
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Aminoethyl)carbamoyl)psoralen. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Aminoethyl)carbamoyl)psoralen. Following Lipinski's Rule of Five, 3-((2-Aminoethyl)carbamoyl)psoralen has 2 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 3-((2-Aminoethyl)carbamoyl)psoralen?
The CAS number of 3-((2-Aminoethyl)carbamoyl)psoralen is 138488-46-7.
What is the molecular formula of 3-((2-Aminoethyl)carbamoyl)psoralen?
The molecular formula of 3-((2-Aminoethyl)carbamoyl)psoralen is C14H12N2O4.
What is the molecular weight of 3-((2-Aminoethyl)carbamoyl)psoralen?
The molecular weight of 3-((2-Aminoethyl)carbamoyl)psoralen is 272.08 g/mol.
Where can I buy 3-((2-Aminoethyl)carbamoyl)psoralen?
You can request a quote for 3-((2-Aminoethyl)carbamoyl)psoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Aminoethyl)carbamoyl)psoralen?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Aminoethyl)carbamoyl)psoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.