Daltroban
TL;DR: Daltroban (CAS 79094-20-5) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid
Also Known As: DALTROBAN, Daltrobanum, Resedine, Daltrobanum [Latin], Daltroban [USAN:INN]
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 79094-20-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CC(=O)O |
| InChIKey | IULOBWFWYDMECP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Daltroban (CAS 79094-20-5), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid.
Chemical Property Profile of Daltroban
Property Insights of Daltroban
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daltroban. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Daltroban. Following Lipinski's Rule of Five, Daltroban has 2 hydrogen bond donor(s) and 5 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 Daltroban?
The CAS number of Daltroban is 79094-20-5.
What is the molecular formula of Daltroban?
The molecular formula of Daltroban is C16H16ClNO4S.
What is the molecular weight of Daltroban?
The molecular weight of Daltroban is 353.05 g/mol.
Where can I buy Daltroban?
You can request a quote for Daltroban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daltroban?
Yes, KEHONG BIO provides custom synthesis services for Daltroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.