A3856/0163771
TL;DR: A3856/0163771 (CAS 728025-31-8) is a chemical compound with molecular formula C22H18N2O3S2 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxy-5-methylphenyl)-7,7-dimethyl-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: A3856/0163771, 9-(2-methoxy-5-methylphenyl)-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, 9-(2-methoxy-5-methylphenyl)-7,7-dimethyl-10-thioxo-9,10-dihydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5(7H)-dione, 9-(2-methoxy-5-methylphenyl)-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 | C22H18N2O3S2 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 5.03031 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.0759 |
| Heavy Atoms | 29 |
| Complexity | 1299.8716 |
Chemical Identifiers
| CAS Number | 728025-31-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N2C(=S)C3=C(S2)C(N4C5=C3C=CC=C5C(=O)C4=O)(C)C |
Product Overview
A3856/0163771 (CAS 728025-31-8), with molecular formula C22H18N2O3S2 and molecular weight 422.08 g/mol. IUPAC: 4-(2-methoxy-5-methylphenyl)-7,7-dimethyl-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 A3856/0163771
Property Insights of A3856/0163771
The XLogP value of 5.03031 indicates that A3856/0163771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.54 Ų, A3856/0163771 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3856/0163771 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3856/0163771?
The CAS number of A3856/0163771 is 728025-31-8.
What is the molecular formula of A3856/0163771?
The molecular formula of A3856/0163771 is C22H18N2O3S2.
What is the molecular weight of A3856/0163771?
The molecular weight of A3856/0163771 is 422.08 g/mol.
Where can I buy A3856/0163771?
You can request a quote for A3856/0163771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3856/0163771?
Yes, KEHONG BIO provides custom synthesis services for A3856/0163771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.