![2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- structure](/static/products/1134/113457-06-0.webp)
2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-
TL;DR: 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- (CAS 113457-06-0) is a chemical compound with molecular formula C21H27N5OS and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-aminoethylamino)-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-4-ol
Also Known As: 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-, 5-((2-aminoethyl)amino)-2-(2-(diethylamino)ethyl)-2H-thiochromeno[4,3,2-cd]indazol-9-ol, 10-(2-Aminoethylamino)-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-4-ol, 5-[(2-Aminoethyl)amino]-2-[2-(diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazol-9-ol, 10-[(2-aminoethyl)amino]-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-4-ol
| Molecular Formula | C21H27N5OS |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.5859 |
| Topological Polar Surface Area | 79.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 996.11487 |
Chemical Identifiers
| CAS Number | 113457-06-0 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C3C(=C(C=C2)NCCN)SC4=C(C3=N1)C=C(C=C4)O |
Product Overview
2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- (CAS 113457-06-0), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: 10-(2-aminoethylamino)-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-4-ol.
Chemical Property Profile of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-
Property Insights of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-
The XLogP value of 3.5859 indicates that 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-. Following Lipinski's Rule of Five, 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- has 3 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 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-?
The CAS number of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- is 113457-06-0.
What is the molecular formula of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-?
The molecular formula of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- is C21H27N5OS.
What is the molecular weight of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-?
The molecular weight of 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- is 397.19 g/mol.
Where can I buy 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-?
You can request a quote for 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2H-[1]Benzothiopyrano[4,3,2-cd]indazol-9-ol, 5-[(2-aminoethyl)amino]-2-[2-(diethylamino)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.