KT2-962游离酸
TL;DR: KT2-962游离酸 (CAS 129648-97-1) is a chemical compound with molecular formula C23H26ClNO5S2 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
KT2-962游离酸
3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid
Also Known As: KT2-962 free acid, KT-2962 free acid, KT2-962, 6-Isopropyl-3-(4-(p- chlorobenzenesulfonylamino)-butyl)-azulene-1-sulfonic acid, 1-Azulenesulfonic acid, 3-(4-(((4-chlorophenyl)sulfonyl)amino)butyl)-6-(1-methylethyl)-
| Molecular Formula | C23H26ClNO5S2 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.0941 |
| Heavy Atoms | 32 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 129648-97-1 |
|---|---|
| SMILES | CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1 |
| InChIKey | ONMQCKPUEFDWIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KT2-962游离酸 (CAS 129648-97-1), with molecular formula C23H26ClNO5S2 and molecular weight 495.09 g/mol. IUPAC: 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid.
Chemical Property Profile of KT2-962游离酸
Property Insights of KT2-962游离酸
The XLogP value of 5.0 indicates that KT2-962游离酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KT2-962游离酸. Following Lipinski's Rule of Five, KT2-962游离酸 has 2 hydrogen bond donor(s) and 6 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 KT2-962游离酸?
The CAS number of KT2-962游离酸 is 129648-97-1.
What is the molecular formula of KT2-962游离酸?
The molecular formula of KT2-962游离酸 is C23H26ClNO5S2.
What is the molecular weight of KT2-962游离酸?
The molecular weight of KT2-962游离酸 is 495.09 g/mol.
Where can I buy KT2-962游离酸?
You can request a quote for KT2-962游离酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KT2-962游离酸?
Yes, KEHONG BIO provides custom synthesis services for KT2-962游离酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.