4-Dhbmd
TL;DR: 4-Dhbmd (CAS 88197-30-2) is a chemical compound with molecular formula C26H22O7S and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxobutanoic acid
Also Known As: 4-Dhbmd, 4-(4'-(( -2,4-dioxobutanoicacid, 4-(4'-(( -2,4-dioxobutanoicacid, 4-(4'-(((3,4-Dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl)thio)(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid, 4'-(((3,4-Dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl)thio)-alpha,gamma-dioxo-(1,1'-biphenyl)-4-butanoic acid
| Molecular Formula | C26H22O7S |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.1086 |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 88197-30-2 |
|---|---|
| SMILES | C1C(COC2=CC=CC=C2O1)(CSC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)CC(=O)C(=O)O)O |
| InChIKey | UEOJQYVDBAHYRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dhbmd (CAS 88197-30-2), with molecular formula C26H22O7S and molecular weight 478.11 g/mol. IUPAC: 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-Dhbmd
Property Insights of 4-Dhbmd
The XLogP value of 3.9 indicates that 4-Dhbmd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dhbmd. Following Lipinski's Rule of Five, 4-Dhbmd 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 4-Dhbmd?
The CAS number of 4-Dhbmd is 88197-30-2.
What is the molecular formula of 4-Dhbmd?
The molecular formula of 4-Dhbmd is C26H22O7S.
What is the molecular weight of 4-Dhbmd?
The molecular weight of 4-Dhbmd is 478.11 g/mol.
Where can I buy 4-Dhbmd?
You can request a quote for 4-Dhbmd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dhbmd?
Yes, KEHONG BIO provides custom synthesis services for 4-Dhbmd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.