IA 3甲磺酸盐
TL;DR: IA 3甲磺酸盐 (CAS 43218-55-9) is a chemical compound with molecular formula C21H26ClN3O3S2 and molecular weight 467.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
IA 3甲磺酸盐
2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate
Also Known As: IA 3 methanesulfonate, 162668-EP2275422A1, 162668-EP2281818A1, 2H-(1)Benzothiopyrano(4,3,2-cd)indazole, 8-chloro-5-methyl-2-(2-(diethylamino)ethyl)-, monomethanesulfonate, 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate
| Molecular Formula | C21H26ClN3O3S2 |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 3.22 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.1104 |
| Heavy Atoms | 30 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 43218-55-9 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C3C(=C(C=C2)C)SC4=C(C3=N1)C=CC(=C4)Cl.CS(=O)(=O)[O-] |
| InChIKey | TTZGKMBLWUVGJV-UHFFFAOYSA-N |
Product Overview
IA 3甲磺酸盐 (CAS 43218-55-9), with molecular formula C21H26ClN3O3S2 and molecular weight 467.11 g/mol. IUPAC: 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate.
Chemical Property Profile of IA 3甲磺酸盐
Property Insights of IA 3甲磺酸盐
The XLogP value of 3.22 indicates that IA 3甲磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IA 3甲磺酸盐. Following Lipinski's Rule of Five, IA 3甲磺酸盐 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 IA 3甲磺酸盐?
The CAS number of IA 3甲磺酸盐 is 43218-55-9.
What is the molecular formula of IA 3甲磺酸盐?
The molecular formula of IA 3甲磺酸盐 is C21H26ClN3O3S2.
What is the molecular weight of IA 3甲磺酸盐?
The molecular weight of IA 3甲磺酸盐 is 467.11 g/mol.
Where can I buy IA 3甲磺酸盐?
You can request a quote for IA 3甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IA 3甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for IA 3甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.