IA 4 methanesulfonate
TL;DR: IA 4 methanesulfonate (CAS 43047-59-2) is a chemical compound with molecular formula C21H26ClN3O4S2 and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-10-(hydroxymethyl)-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 4 methanesulfonate, IA 4, 2H-(1)-Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl-, monomethanesulfonate, 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, methanesulfonate (salt), 2H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 8-chloro-2-[2-(diethylamino)ethyl]-, monomethanesulfonate (salt)
| Molecular Formula | C21H26ClN3O4S2 |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.10532 |
| Heavy Atoms | 31 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 43047-59-2 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C3C(=C(C=C2)CO)SC4=C(C3=N1)C=CC(=C4)Cl.CS(=O)(=O)[O-] |
| InChIKey | XMBJPJHCAJZCLU-UHFFFAOYSA-N |
Product Overview
IA 4 methanesulfonate (CAS 43047-59-2), with molecular formula C21H26ClN3O4S2 and molecular weight 483.11 g/mol. IUPAC: 2-[5-chloro-10-(hydroxymethyl)-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 4 methanesulfonate
Property Insights of IA 4 methanesulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IA 4 methanesulfonate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IA 4 methanesulfonate. Following Lipinski's Rule of Five, IA 4 methanesulfonate 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 IA 4 methanesulfonate?
The CAS number of IA 4 methanesulfonate is 43047-59-2.
What is the molecular formula of IA 4 methanesulfonate?
The molecular formula of IA 4 methanesulfonate is C21H26ClN3O4S2.
What is the molecular weight of IA 4 methanesulfonate?
The molecular weight of IA 4 methanesulfonate is 483.11 g/mol.
Where can I buy IA 4 methanesulfonate?
You can request a quote for IA 4 methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IA 4 methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for IA 4 methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.