AE-848/31941064
TL;DR: AE-848/31941064 (CAS 328070-47-9) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,13-trimethyl-5-oxa-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
Also Known As: AE-848/31941064, 2,7,7-trimethyl-2,3,6,7-tetrahydropyrano[4',3':4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-5(9H)-one, 2,7,7-Trimethyl-2,3,6,9-tetrahydro-5H,7H-pyrano[4',3':4,5]thieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-5-one, 2,7,7-Trimethyl-2,3,6,9-tetrahydro-5H,7H-pyrano[4',3':4,5]thieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-5-one #, 2H-8-Oxa-1,10-dithia-4,11-diaza-cyclopenta[b]fluoren-5(4H)-one, 3,6,7,9-tetrahydro-2,7,7-trimethyl-
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 328070-47-9 |
|---|---|
| SMILES | CC1CN2C(=O)C3=C(N=C2S1)SC4=C3CC(OC4)(C)C |
| InChIKey | YYOBUGYTYVXISZ-UHFFFAOYSA-N |
Product Overview
AE-848/31941064 (CAS 328070-47-9), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: 4,4,13-trimethyl-5-oxa-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
Chemical Property Profile of AE-848/31941064
Property Insights of AE-848/31941064
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31941064. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/31941064. Following Lipinski's Rule of Five, AE-848/31941064 has 0 hydrogen bond donor(s) and 5 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-848/31941064?
The CAS number of AE-848/31941064 is 328070-47-9.
What is the molecular formula of AE-848/31941064?
The molecular formula of AE-848/31941064 is C14H16N2O2S2.
What is the molecular weight of AE-848/31941064?
The molecular weight of AE-848/31941064 is 308.07 g/mol.
Where can I buy AE-848/31941064?
You can request a quote for AE-848/31941064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31941064?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31941064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.