904680-01-9 (free base)
TL;DR: 904680-01-9 (free base) (CAS 904680-01-9) is a chemical compound with molecular formula C22H25FN2O4S and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(Z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Also Known As: 904680-01-9 (free base), Anthranilic Acid Sulfonamide, 24n, A-849519, 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, 2-[[2-[(Z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
| Molecular Formula | C22H25FN2O4S |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 3.7783 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.15192 |
| Heavy Atoms | 30 |
| Complexity | 1094.5566 |
Chemical Identifiers
| CAS Number | 904680-01-9 |
|---|---|
| SMILES | CN(C)C/C=C\C1=C(C=CC(=C1)F)S(=O)(=O)NC2=C(C3=C(CCCC3)C=C2)C(=O)O |
Product Overview
904680-01-9 (free base) (CAS 904680-01-9), with molecular formula C22H25FN2O4S and molecular weight 432.15 g/mol. IUPAC: 2-[[2-[(Z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of 904680-01-9 (free base)
Property Insights of 904680-01-9 (free base)
The XLogP value of 3.7783 indicates that 904680-01-9 (free base) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 904680-01-9 (free base). Following Lipinski's Rule of Five, 904680-01-9 (free base) 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 904680-01-9 (free base)?
The CAS number of 904680-01-9 (free base) is 904680-01-9.
What is the molecular formula of 904680-01-9 (free base)?
The molecular formula of 904680-01-9 (free base) is C22H25FN2O4S.
What is the molecular weight of 904680-01-9 (free base)?
The molecular weight of 904680-01-9 (free base) is 432.15 g/mol.
Where can I buy 904680-01-9 (free base)?
You can request a quote for 904680-01-9 (free base) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 904680-01-9 (free base)?
Yes, KEHONG BIO provides custom synthesis services for 904680-01-9 (free base) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.