AB01324112-02
TL;DR: AB01324112-02 (CAS 433694-28-1) is a chemical compound with molecular formula C26H23ClO6S and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-methylbenzenesulfonate
Also Known As: AB01324112-02, 4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate, [4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-methylbenzenesulfonate
| Molecular Formula | C26H23ClO6S |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 5.54412 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.0904 |
| Heavy Atoms | 34 |
| Complexity | 1326.501 |
Chemical Identifiers
| CAS Number | 433694-28-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5 |
Product Overview
AB01324112-02 (CAS 433694-28-1), with molecular formula C26H23ClO6S and molecular weight 498.09 g/mol. IUPAC: [4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of AB01324112-02
Property Insights of AB01324112-02
The XLogP value of 5.54412 indicates that AB01324112-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01324112-02. Following Lipinski's Rule of Five, AB01324112-02 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01324112-02?
The CAS number of AB01324112-02 is 433694-28-1.
What is the molecular formula of AB01324112-02?
The molecular formula of AB01324112-02 is C26H23ClO6S.
What is the molecular weight of AB01324112-02?
The molecular weight of AB01324112-02 is 498.09 g/mol.
Where can I buy AB01324112-02?
You can request a quote for AB01324112-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01324112-02?
Yes, KEHONG BIO provides custom synthesis services for AB01324112-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.