AE-848/36327020
TL;DR: AE-848/36327020 (CAS 342392-41-0) is a chemical compound with molecular formula C16H15N3S3 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione
Also Known As: AE-848/36327020, 7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dithione, 7-benzyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-4(3H)-thione
| Molecular Formula | C16H15N3S3 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.04282 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 342392-41-0 |
|---|---|
| SMILES | C1CN(CC2=C1C3=C(S2)NC(=S)NC3=S)CC4=CC=CC=C4 |
| InChIKey | AOLGHRSRAYSTQE-UHFFFAOYSA-N |
Product Overview
AE-848/36327020 (CAS 342392-41-0), with molecular formula C16H15N3S3 and molecular weight 345.04 g/mol. IUPAC: 11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione.
Chemical Property Profile of AE-848/36327020
Property Insights of AE-848/36327020
The XLogP value of 3.1 indicates that AE-848/36327020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36327020. Following Lipinski's Rule of Five, AE-848/36327020 has 2 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-848/36327020?
The CAS number of AE-848/36327020 is 342392-41-0.
What is the molecular formula of AE-848/36327020?
The molecular formula of AE-848/36327020 is C16H15N3S3.
What is the molecular weight of AE-848/36327020?
The molecular weight of AE-848/36327020 is 345.04 g/mol.
Where can I buy AE-848/36327020?
You can request a quote for AE-848/36327020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36327020?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36327020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.