AB00908029-05
TL;DR: AB00908029-05 (CAS 896335-50-5) is a chemical compound with molecular formula C20H19NO6S and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)sulfonylbenzoic acid
Also Known As: AB00908029-05, F2548-0177, 4-((4-oxospiro[chroman-2,4'-piperidin]-1'-yl)sulfonyl)benzoic acid, 4-({4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-yl}sulfonyl)benzoic acid, 4-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)sulfonylbenzoic acid
| Molecular Formula | C20H19NO6S |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 2.5735 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.09332 |
| Heavy Atoms | 28 |
| Complexity | 1036.6205 |
Chemical Identifiers
| CAS Number | 896335-50-5 |
|---|---|
| SMILES | C1CN(CCC12CC(=O)C3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
AB00908029-05 (CAS 896335-50-5), with molecular formula C20H19NO6S and molecular weight 401.09 g/mol. IUPAC: 4-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)sulfonylbenzoic acid.
Chemical Property Profile of AB00908029-05
Property Insights of AB00908029-05
The XLogP value of 2.5735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00908029-05. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00908029-05. Following Lipinski's Rule of Five, AB00908029-05 has 1 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 AB00908029-05?
The CAS number of AB00908029-05 is 896335-50-5.
What is the molecular formula of AB00908029-05?
The molecular formula of AB00908029-05 is C20H19NO6S.
What is the molecular weight of AB00908029-05?
The molecular weight of AB00908029-05 is 401.09 g/mol.
Where can I buy AB00908029-05?
You can request a quote for AB00908029-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00908029-05?
Yes, KEHONG BIO provides custom synthesis services for AB00908029-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.