AJ-292/13049084
TL;DR: AJ-292/13049084 (CAS 352657-83-1) is a chemical compound with molecular formula C26H31N3O4S2 and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[(4-ethoxyphenyl)methyl]propanamide
Also Known As: AJ-292/13049084, 3-[(12,12-Dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[(4-ethoxyphenyl)methyl]propanamide, 3-[(3-allyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxybenzyl)propanamide, 3-[(6,6-dimethyl-4-oxo-3-prop-2-enyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]-N-[(4-ethoxyphenyl)methyl]propanamide, 3-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-ethoxybenzyl)propanamide
| Molecular Formula | C26H31N3O4S2 |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 4.6926 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.1756 |
| Heavy Atoms | 35 |
| Complexity | 1278.4742 |
Chemical Identifiers
| CAS Number | 352657-83-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CC=C |
Product Overview
AJ-292/13049084 (CAS 352657-83-1), with molecular formula C26H31N3O4S2 and molecular weight 513.18 g/mol. IUPAC: 3-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[(4-ethoxyphenyl)methyl]propanamide.
Chemical Property Profile of AJ-292/13049084
Property Insights of AJ-292/13049084
The XLogP value of 4.6926 indicates that AJ-292/13049084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13049084. Following Lipinski's Rule of Five, AJ-292/13049084 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13049084?
The CAS number of AJ-292/13049084 is 352657-83-1.
What is the molecular formula of AJ-292/13049084?
The molecular formula of AJ-292/13049084 is C26H31N3O4S2.
What is the molecular weight of AJ-292/13049084?
The molecular weight of AJ-292/13049084 is 513.18 g/mol.
Where can I buy AJ-292/13049084?
You can request a quote for AJ-292/13049084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13049084?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13049084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.