AB00098418-01
TL;DR: AB00098418-01 (CAS 354156-14-2) is a chemical compound with molecular formula C19H22N2O3S3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-morpholin-4-ylethanone
Also Known As: AB00098418-01, 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-morpholin-4-ylethanone, 8-methoxy-4,4-dimethyl-5-(4-morpholinylacetyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-(morpholin-4-yl)ethanone, 1-(8-METHOXY-4,4-DIMETHYL-1-THIOXO-1,4-DIHYDRO-5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL)-2-MORPHOLINO-1-ETHANONE
| Molecular Formula | C19H22N2O3S3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.12859 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.07925 |
| Heavy Atoms | 27 |
| Complexity | 928.52136 |
Chemical Identifiers
| CAS Number | 354156-14-2 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4CCOCC4)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
AB00098418-01 (CAS 354156-14-2), with molecular formula C19H22N2O3S3 and molecular weight 422.08 g/mol. IUPAC: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-morpholin-4-ylethanone.
Chemical Property Profile of AB00098418-01
Property Insights of AB00098418-01
The XLogP value of 4.12859 indicates that AB00098418-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, AB00098418-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00098418-01 has 0 hydrogen bond donor(s) and 7 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 AB00098418-01?
The CAS number of AB00098418-01 is 354156-14-2.
What is the molecular formula of AB00098418-01?
The molecular formula of AB00098418-01 is C19H22N2O3S3.
What is the molecular weight of AB00098418-01?
The molecular weight of AB00098418-01 is 422.08 g/mol.
Where can I buy AB00098418-01?
You can request a quote for AB00098418-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098418-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098418-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.