AE-848/33586019
TL;DR: AE-848/33586019 (CAS 315677-62-4) is a chemical compound with molecular formula C20H20N2O7S2 and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-nitrophenyl]sulfanylacetic acid
Also Known As: AE-848/33586019, 2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-nitrophenyl]sulfanylacetic acid, [(4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-2-nitrophenyl)sulfanyl]acetic acid, {[4-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-2-nitrophenyl]sulfanyl}acetic acid, 2-((4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-2-nitrophenyl)thio)acetic acid
| Molecular Formula | C20H20N2O7S2 |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 4.1408 |
| Topological Polar Surface Area | 135.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.0712 |
| Heavy Atoms | 31 |
| Complexity | 1048.3896 |
Chemical Identifiers
| CAS Number | 315677-62-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)SCC(=O)O)[N+](=O)[O-] |
Product Overview
AE-848/33586019 (CAS 315677-62-4), with molecular formula C20H20N2O7S2 and molecular weight 464.07 g/mol. IUPAC: 2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-nitrophenyl]sulfanylacetic acid.
Chemical Property Profile of AE-848/33586019
Property Insights of AE-848/33586019
The XLogP value of 4.1408 indicates that AE-848/33586019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33586019. Following Lipinski's Rule of Five, AE-848/33586019 has 2 hydrogen bond donor(s) and 8 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-848/33586019?
The CAS number of AE-848/33586019 is 315677-62-4.
What is the molecular formula of AE-848/33586019?
The molecular formula of AE-848/33586019 is C20H20N2O7S2.
What is the molecular weight of AE-848/33586019?
The molecular weight of AE-848/33586019 is 464.07 g/mol.
Where can I buy AE-848/33586019?
You can request a quote for AE-848/33586019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33586019?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33586019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.