BAS 00668849
TL;DR: BAS 00668849 (CAS 321979-70-8) is a chemical compound with molecular formula C23H26N2O9S2 and molecular weight 538.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[7-[3-carboxypropyl(methyl)sulfamoyl]-9-oxofluoren-2-yl]sulfonyl-methylamino]butanoic acid
Also Known As: BAS 00668849, BIM-0029099.P001, 4-[[(7-{[(3-carboxypropyl)(methyl)amino]sulfonyl}-9-oxo-9H-fluoren-2-yl)sulfonyl](methyl)amino]butanoic acid, 4,4'-((9-oxo-9H-fluorene-2,7-disulfonyl)bis(methylazanediyl))dibutanoic acid, 4,4'-{(9-oxo-9H-fluorene-2,7-diyl)bis[sulfonyl(methylimino)]}dibutanoic acid
| Molecular Formula | C23H26N2O9S2 |
|---|---|
| Molecular Weight | 538.11 g/mol |
| LogP | 1.8686 |
| Topological Polar Surface Area | 166.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 538.108 |
| Heavy Atoms | 36 |
| Complexity | 1325.9747 |
Chemical Identifiers
| CAS Number | 321979-70-8 |
|---|---|
| SMILES | CN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)CCCC(=O)O |
Product Overview
BAS 00668849 (CAS 321979-70-8), with molecular formula C23H26N2O9S2 and molecular weight 538.11 g/mol. IUPAC: 4-[[7-[3-carboxypropyl(methyl)sulfamoyl]-9-oxofluoren-2-yl]sulfonyl-methylamino]butanoic acid.
Chemical Property Profile of BAS 00668849
Property Insights of BAS 00668849
The XLogP value of 1.8686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00668849. The TPSA of 166.43 Ų indicates high polarity, suggesting BAS 00668849 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00668849 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00668849?
The CAS number of BAS 00668849 is 321979-70-8.
What is the molecular formula of BAS 00668849?
The molecular formula of BAS 00668849 is C23H26N2O9S2.
What is the molecular weight of BAS 00668849?
The molecular weight of BAS 00668849 is 538.11 g/mol.
Where can I buy BAS 00668849?
You can request a quote for BAS 00668849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00668849?
Yes, KEHONG BIO provides custom synthesis services for BAS 00668849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.