ETAMICASTAT HYDROCHLORIDE
TL;DR: ETAMICASTAT HYDROCHLORIDE (CAS 677773-32-9) is a chemical compound with molecular formula C14H16ClF2N3OS and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-3-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione;hydrochloride
Also Known As: ETAMICASTAT HYDROCHLORIDE, 5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-3H-imidazole-2-thione Hydrochloride
| Molecular Formula | C14H16ClF2N3OS |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 2.92309 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.06708 |
| Heavy Atoms | 22 |
| Complexity | 731.3634 |
Chemical Identifiers
| CAS Number | 677773-32-9 |
|---|---|
| SMILES | C1C(COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCN.Cl |
Product Overview
ETAMICASTAT HYDROCHLORIDE (CAS 677773-32-9), with molecular formula C14H16ClF2N3OS and molecular weight 347.07 g/mol. IUPAC: 4-(2-aminoethyl)-3-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione;hydrochloride.
Chemical Property Profile of ETAMICASTAT HYDROCHLORIDE
Property Insights of ETAMICASTAT HYDROCHLORIDE
The XLogP value of 2.92309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ETAMICASTAT HYDROCHLORIDE. With a topological polar surface area (TPSA) of 55.97 Ų, ETAMICASTAT HYDROCHLORIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ETAMICASTAT HYDROCHLORIDE has 2 hydrogen bond donor(s) and 3 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 ETAMICASTAT HYDROCHLORIDE?
The CAS number of ETAMICASTAT HYDROCHLORIDE is 677773-32-9.
What is the molecular formula of ETAMICASTAT HYDROCHLORIDE?
The molecular formula of ETAMICASTAT HYDROCHLORIDE is C14H16ClF2N3OS.
What is the molecular weight of ETAMICASTAT HYDROCHLORIDE?
The molecular weight of ETAMICASTAT HYDROCHLORIDE is 347.07 g/mol.
Where can I buy ETAMICASTAT HYDROCHLORIDE?
You can request a quote for ETAMICASTAT HYDROCHLORIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETAMICASTAT HYDROCHLORIDE?
Yes, KEHONG BIO provides custom synthesis services for ETAMICASTAT HYDROCHLORIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.