4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate
TL;DR: 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate (CAS 80997-85-9) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole
Also Known As: EINECS 279-645-7, TIMTEC-BB SBB001395, 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate, methanesulfonic acid;3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole, 4 5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.7413 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 928.7219 |
Chemical Identifiers
| CAS Number | 80997-85-9 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC2=C(C3=CC=CC=C31)NN=C2C4=CC=NC=C4 |
Product Overview
4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate (CAS 80997-85-9), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: methanesulfonic acid;3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole.
Chemical Property Profile of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate
Property Insights of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate
The XLogP value of 2.7413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate. Following Lipinski's Rule of Five, 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate has 2 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 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate?
The CAS number of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate is 80997-85-9.
What is the molecular formula of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate?
The molecular formula of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate is C17H17N3O3S.
What is the molecular weight of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate?
The molecular weight of 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate is 343.10 g/mol.
Where can I buy 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate?
You can request a quote for 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-3-(pyridin-4-yl)-2H-benz(g)indazole methanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.