A3350/0142193
TL;DR: A3350/0142193 (CAS 689745-19-5) is a chemical compound with molecular formula C28H22N2O4S2 and molecular weight 514.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methoxy-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione
Also Known As: A3350/0142193, 9-(4-(benzyloxy)phenyl)-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5(7H)-dione, 9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, 9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione
| Molecular Formula | C28H22N2O4S2 |
|---|---|
| Molecular Weight | 514.10 g/mol |
| LogP | 6.30089 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.1021 |
| Heavy Atoms | 36 |
| Complexity | 1601.2516 |
Chemical Identifiers
| CAS Number | 689745-19-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C4N1C(=O)C(=O)C4=CC(=C3)OC)C(=S)N(S2)C5=CC=C(C=C5)OCC6=CC=CC=C6)C |
Product Overview
A3350/0142193 (CAS 689745-19-5), with molecular formula C28H22N2O4S2 and molecular weight 514.10 g/mol. IUPAC: 13-methoxy-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione.
Chemical Property Profile of A3350/0142193
Property Insights of A3350/0142193
The XLogP value of 6.30089 indicates that A3350/0142193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A3350/0142193. Following Lipinski's Rule of Five, A3350/0142193 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3350/0142193?
The CAS number of A3350/0142193 is 689745-19-5.
What is the molecular formula of A3350/0142193?
The molecular formula of A3350/0142193 is C28H22N2O4S2.
What is the molecular weight of A3350/0142193?
The molecular weight of A3350/0142193 is 514.10 g/mol.
Where can I buy A3350/0142193?
You can request a quote for A3350/0142193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3350/0142193?
Yes, KEHONG BIO provides custom synthesis services for A3350/0142193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.