AE-848/31942017
TL;DR: AE-848/31942017 (CAS 370072-86-9) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,13,13-trimethyl-8-phenyl-14-oxa-17-thia-2,5,6,8-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),4,6,11(16)-tetraene-3,9-dione
Also Known As: AE-848/31942017, 2,8,8-trimethyl-5-phenyl-7,10-dihydro-1H,8H-pyrano[4'',3'':4',5']thieno[3',2':5,6]pyrimido[2,1-c][1,2,4]triazine-1,6(5H)-dione, 2,8,8-trimethyl-5-phenyl-7,8-dihydropyrano[4'',3'':4',5']thieno[3',2':5,6]pyrimido[2,1-c][1,2,4]triazine-1,6(5H,10H)-dione
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.61482 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1365.9767 |
Chemical Identifiers
| CAS Number | 370072-86-9 |
|---|---|
| SMILES | CC1=NN=C2N(C(=O)C3=C(N2C1=O)SC4=C3CC(OC4)(C)C)C5=CC=CC=C5 |
Product Overview
AE-848/31942017 (CAS 370072-86-9), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 4,13,13-trimethyl-8-phenyl-14-oxa-17-thia-2,5,6,8-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),4,6,11(16)-tetraene-3,9-dione.
Chemical Property Profile of AE-848/31942017
Property Insights of AE-848/31942017
The XLogP value of 2.61482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31942017. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/31942017. Following Lipinski's Rule of Five, AE-848/31942017 has 0 hydrogen bond donor(s) and 6 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 AE-848/31942017?
The CAS number of AE-848/31942017 is 370072-86-9.
What is the molecular formula of AE-848/31942017?
The molecular formula of AE-848/31942017 is C20H18N4O3S.
What is the molecular weight of AE-848/31942017?
The molecular weight of AE-848/31942017 is 394.11 g/mol.
Where can I buy AE-848/31942017?
You can request a quote for AE-848/31942017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31942017?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31942017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.