IFLab1_001437
TL;DR: IFLab1_001437 (CAS 304896-84-2) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]propanoic acid
Also Known As: IFLab1_001437, 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]propanoic acid, 2-({3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl}oxy)propanoic acid, 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]propanoic acid, AB00095803-01
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.83212 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 802.782 |
Chemical Identifiers
| CAS Number | 304896-84-2 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)O |
Product Overview
IFLab1_001437 (CAS 304896-84-2), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]propanoic acid.
Chemical Property Profile of IFLab1_001437
Property Insights of IFLab1_001437
The XLogP value of 2.83212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001437. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001437. Following Lipinski's Rule of Five, IFLab1_001437 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 IFLab1_001437?
The CAS number of IFLab1_001437 is 304896-84-2.
What is the molecular formula of IFLab1_001437?
The molecular formula of IFLab1_001437 is C17H18O5.
What is the molecular weight of IFLab1_001437?
The molecular weight of IFLab1_001437 is 302.12 g/mol.
Where can I buy IFLab1_001437?
You can request a quote for IFLab1_001437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001437?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.