AE-848/31941039
TL;DR: AE-848/31941039 (CAS 300730-62-5) is a chemical compound with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-methylsulfanyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AE-848/31941039, A0695/0032388, 3-allyl-6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-6,6-dimethyl-2-(methylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H18N2O2S2 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.08096 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 300730-62-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC)CC=C)C |
| InChIKey | PSYJSTNOMJZCND-UHFFFAOYSA-N |
Product Overview
AE-848/31941039 (CAS 300730-62-5), with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol. IUPAC: 12,12-dimethyl-5-methylsulfanyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AE-848/31941039
Property Insights of AE-848/31941039
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31941039. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/31941039. Following Lipinski's Rule of Five, AE-848/31941039 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-848/31941039?
The CAS number of AE-848/31941039 is 300730-62-5.
What is the molecular formula of AE-848/31941039?
The molecular formula of AE-848/31941039 is C15H18N2O2S2.
What is the molecular weight of AE-848/31941039?
The molecular weight of AE-848/31941039 is 322.08 g/mol.
Where can I buy AE-848/31941039?
You can request a quote for AE-848/31941039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31941039?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31941039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.