AE-848/13196080
TL;DR: AE-848/13196080 (CAS 303051-65-2) is a chemical compound with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)sulfanyl]acetic acid
Also Known As: AE-848/13196080, {[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetic acid, {[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetic acid, 2-((2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)acetic acid
| Molecular Formula | C20H22N4O4S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 3.1041 |
| Topological Polar Surface Area | 97.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.10825 |
| Heavy Atoms | 30 |
| Complexity | 1140.9794 |
Chemical Identifiers
| CAS Number | 303051-65-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC(=O)O)N5CCOCC5)C |
Product Overview
AE-848/13196080 (CAS 303051-65-2), with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol. IUPAC: 2-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)sulfanyl]acetic acid.
Chemical Property Profile of AE-848/13196080
Property Insights of AE-848/13196080
The XLogP value of 3.1041 indicates that AE-848/13196080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/13196080. Following Lipinski's Rule of Five, AE-848/13196080 has 1 hydrogen bond donor(s) and 9 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-848/13196080?
The CAS number of AE-848/13196080 is 303051-65-2.
What is the molecular formula of AE-848/13196080?
The molecular formula of AE-848/13196080 is C20H22N4O4S2.
What is the molecular weight of AE-848/13196080?
The molecular weight of AE-848/13196080 is 446.11 g/mol.
Where can I buy AE-848/13196080?
You can request a quote for AE-848/13196080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/13196080?
Yes, KEHONG BIO provides custom synthesis services for AE-848/13196080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.