IA 4 mesylate
TL;DR: IA 4 mesylate (CAS 24167-40-6) is a chemical compound with molecular formula C20H22ClN3OS and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol
Also Known As: IA 4 mesylate, IA 4 monomesylate, IA 4, SID:134222962, 8-Chloro-2-(2-(diethylamino)ethyl)-2H-(1)benzothiopyrano(4,3,2-cd)indazole-5-methanol
| Molecular Formula | C20H22ClN3OS |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11722 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 24167-40-6 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C3C(=C(C=C2)CO)SC4=C(C3=N1)C=CC(=C4)Cl |
| InChIKey | SRBMBMSGNPWLNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
IA 4 mesylate (CAS 24167-40-6), with molecular formula C20H22ClN3OS and molecular weight 387.12 g/mol. IUPAC: [5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol.
Chemical Property Profile of IA 4 mesylate
Property Insights of IA 4 mesylate
The XLogP value of 3.8 indicates that IA 4 mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IA 4 mesylate. Following Lipinski's Rule of Five, IA 4 mesylate has 1 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 IA 4 mesylate?
The CAS number of IA 4 mesylate is 24167-40-6.
What is the molecular formula of IA 4 mesylate?
The molecular formula of IA 4 mesylate is C20H22ClN3OS.
What is the molecular weight of IA 4 mesylate?
The molecular weight of IA 4 mesylate is 387.12 g/mol.
Where can I buy IA 4 mesylate?
You can request a quote for IA 4 mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IA 4 mesylate?
Yes, KEHONG BIO provides custom synthesis services for IA 4 mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.