D77
TL;DR: D77 (CAS 497836-10-9) is a chemical compound with molecular formula C28H22BrNO7S and molecular weight 595.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-bromo-4-[(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid
Also Known As: D77, 4-[[5-bromo-4-[(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid, 4-[[5-bromo-4-[(Z)-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C28H22BrNO7S |
|---|---|
| Molecular Weight | 595.03 g/mol |
| LogP | 6.0442 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 595.03 |
| Heavy Atoms | 38 |
| Complexity | 1421.1196 |
Chemical Identifiers
| CAS Number | 497836-10-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)C(=O)O |
Product Overview
D77 (CAS 497836-10-9), with molecular formula C28H22BrNO7S and molecular weight 595.03 g/mol. IUPAC: 4-[[5-bromo-4-[(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of D77
Property Insights of D77
The XLogP value of 6.0442 indicates that D77 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for D77. Following Lipinski's Rule of Five, D77 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 D77?
The CAS number of D77 is 497836-10-9.
What is the molecular formula of D77?
The molecular formula of D77 is C28H22BrNO7S.
What is the molecular weight of D77?
The molecular weight of D77 is 595.03 g/mol.
Where can I buy D77?
You can request a quote for D77 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D77?
Yes, KEHONG BIO provides custom synthesis services for D77 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.