![N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine structure](/static/products/858/858770-28-2.png)
N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine
TL;DR: N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine (CAS 858770-28-2) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
Also Known As: EiM07-28531, N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine, 3-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid, 3-(3-{3,5,9-TRIMETHYL-7-OXO-7H-FURO[3,2-G]CHROMEN-6-YL}PROPANAMIDO)PROPANOIC ACID, 3-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.98796 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 1105.2861 |
Chemical Identifiers
| CAS Number | 858770-28-2 |
|---|---|
| SMILES | CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCC(=O)O)C)C |
Product Overview
N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine (CAS 858770-28-2), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: 3-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid.
Chemical Property Profile of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine
Property Insights of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine
The XLogP value of 2.98796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine. Following Lipinski's Rule of Five, N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine 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 N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine?
The CAS number of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine is 858770-28-2.
What is the molecular formula of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine?
The molecular formula of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine is C20H21NO6.
What is the molecular weight of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine?
The molecular weight of N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine is 371.14 g/mol.
Where can I buy N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine?
You can request a quote for N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.