AE-848/31944044
TL;DR: AE-848/31944044 (CAS 342386-79-2) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-6-prop-2-enyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: AE-848/31944044, 3-allyl-8,8-dimethyl-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 8,8-dimethyl-3-(prop-2-en-1-yl)-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 3-allyl-8,8-dimethyl-2-thioxo-6,9-dihydro-1H-pyrano[3,4]pyrido[3,5-b]pyrimidin-4-one, 13,13-dimethyl-6-prop-2-enyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-trien-7-one
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.49139 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 848.34314 |
Chemical Identifiers
| CAS Number | 342386-79-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=S)N3)CC=C)C |
Product Overview
AE-848/31944044 (CAS 342386-79-2), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 13,13-dimethyl-6-prop-2-enyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.
Chemical Property Profile of AE-848/31944044
Property Insights of AE-848/31944044
The XLogP value of 2.49139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31944044. With a topological polar surface area (TPSA) of 59.91 Ų, AE-848/31944044 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/31944044 has 1 hydrogen bond donor(s) and 4 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-848/31944044?
The CAS number of AE-848/31944044 is 342386-79-2.
What is the molecular formula of AE-848/31944044?
The molecular formula of AE-848/31944044 is C15H17N3O2S.
What is the molecular weight of AE-848/31944044?
The molecular weight of AE-848/31944044 is 303.10 g/mol.
Where can I buy AE-848/31944044?
You can request a quote for AE-848/31944044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31944044?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31944044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.