F0806-0169
TL;DR: F0806-0169 (CAS 477491-52-4) is a chemical compound with molecular formula C23H21N3O7S2 and molecular weight 515.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate
Also Known As: F0806-0169, ethyl 5-nitro-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]thiophene-3-carboxylate, ethyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-5-nitrothiophene-3-carboxylate, ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate, oxo-p-(N-3-ethoxycarbonyl-5-nitro-2-thienylcarbamoyl)phenyl-1,2,3,4-tetrahydro-2-isoquinolyl-lambda-sulfaniumolate
| Molecular Formula | C23H21N3O7S2 |
|---|---|
| Molecular Weight | 515.08 g/mol |
| LogP | 3.8323 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0821 |
| Heavy Atoms | 35 |
| Complexity | 1398.723 |
Chemical Identifiers
| CAS Number | 477491-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
F0806-0169 (CAS 477491-52-4), with molecular formula C23H21N3O7S2 and molecular weight 515.08 g/mol. IUPAC: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of F0806-0169
Property Insights of F0806-0169
The XLogP value of 3.8323 indicates that F0806-0169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0806-0169. Following Lipinski's Rule of Five, F0806-0169 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0806-0169?
The CAS number of F0806-0169 is 477491-52-4.
What is the molecular formula of F0806-0169?
The molecular formula of F0806-0169 is C23H21N3O7S2.
What is the molecular weight of F0806-0169?
The molecular weight of F0806-0169 is 515.08 g/mol.
Where can I buy F0806-0169?
You can request a quote for F0806-0169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0806-0169?
Yes, KEHONG BIO provides custom synthesis services for F0806-0169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.