AE-848/31942001
TL;DR: AE-848/31942001 (CAS 296799-07-0) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-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-848/31942001, 7,7-dimethyl-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, A0690/0032161, 7,7-dimethyl-2,3,6,7-tetrahydropyrano[4',3':4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-5(9H)-one, 4,4-Dimethyl-5-oxa-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 2.415 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 745.1617 |
Chemical Identifiers
| CAS Number | 296799-07-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N4CCSC4=N3)C |
Product Overview
AE-848/31942001 (CAS 296799-07-0), with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol. IUPAC: 4,4-dimethyl-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-848/31942001
Property Insights of AE-848/31942001
The XLogP value of 2.415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31942001. With a topological polar surface area (TPSA) of 44.12 Ų, AE-848/31942001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/31942001 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-848/31942001?
The CAS number of AE-848/31942001 is 296799-07-0.
What is the molecular formula of AE-848/31942001?
The molecular formula of AE-848/31942001 is C13H14N2O2S2.
What is the molecular weight of AE-848/31942001?
The molecular weight of AE-848/31942001 is 294.05 g/mol.
Where can I buy AE-848/31942001?
You can request a quote for AE-848/31942001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31942001?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31942001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.