F3168-2076
TL;DR: F3168-2076 (CAS 688055-80-3) is a chemical compound with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: F3168-2076, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-(3,4-dimethoxyphenethyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C27H25N3O6S |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | 3.82579 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.1464 |
| Heavy Atoms | 37 |
| Complexity | 1593.2999 |
Chemical Identifiers
| CAS Number | 688055-80-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5)OC |
Product Overview
F3168-2076 (CAS 688055-80-3), with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of F3168-2076
Property Insights of F3168-2076
The XLogP value of 3.82579 indicates that F3168-2076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-2076. Following Lipinski's Rule of Five, F3168-2076 has 2 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 F3168-2076?
The CAS number of F3168-2076 is 688055-80-3.
What is the molecular formula of F3168-2076?
The molecular formula of F3168-2076 is C27H25N3O6S.
What is the molecular weight of F3168-2076?
The molecular weight of F3168-2076 is 519.15 g/mol.
Where can I buy F3168-2076?
You can request a quote for F3168-2076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-2076?
Yes, KEHONG BIO provides custom synthesis services for F3168-2076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.