AS-871/42798261
TL;DR: AS-871/42798261 (CAS 1005069-33-9) is a chemical compound with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-dimethyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
Also Known As: AS-871/42798261, 4,11-Dimethyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone, 2,7-dimethyl-5,10-di(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,7H,8aH)-tetraone, F1637-0040, 2,7-dimethyl-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetrone
| Molecular Formula | C20H18N4O4S2 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 1.105 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.07693 |
| Heavy Atoms | 30 |
| Complexity | 998.2445 |
Chemical Identifiers
| CAS Number | 1005069-33-9 |
|---|---|
| SMILES | CN1C(=O)C2C(N3C4C(C(N3C2C1=O)C5=CC=CS5)C(=O)N(C4=O)C)C6=CC=CS6 |
Product Overview
AS-871/42798261 (CAS 1005069-33-9), with molecular formula C20H18N4O4S2 and molecular weight 442.08 g/mol. IUPAC: 4,11-dimethyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.
Chemical Property Profile of AS-871/42798261
Property Insights of AS-871/42798261
The XLogP value of 1.105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42798261. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42798261. Following Lipinski's Rule of Five, AS-871/42798261 has 0 hydrogen bond donor(s) and 8 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 AS-871/42798261?
The CAS number of AS-871/42798261 is 1005069-33-9.
What is the molecular formula of AS-871/42798261?
The molecular formula of AS-871/42798261 is C20H18N4O4S2.
What is the molecular weight of AS-871/42798261?
The molecular weight of AS-871/42798261 is 442.08 g/mol.
Where can I buy AS-871/42798261?
You can request a quote for AS-871/42798261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42798261?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42798261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.