![methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate structure](/static/products/866/866144-35-6.png)
methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate
TL;DR: methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate (CAS 866144-35-6) is a chemical compound with molecular formula C17H15Cl2NO6S and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfonylamino]propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate, 9T-0009, methyl 3-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfonylamino]propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(2,5-dichlorobenzenesulfonamido)propanoate, Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(2,5-dichlorobenzene-1-sulfonyl)amino]propanoate
| Molecular Formula | C17H15Cl2NO6S |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 3.3048 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.99973 |
| Heavy Atoms | 27 |
| Complexity | 979.3841 |
Chemical Identifiers
| CAS Number | 866144-35-6 |
|---|---|
| SMILES | COC(=O)CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate (CAS 866144-35-6), with molecular formula C17H15Cl2NO6S and molecular weight 431.00 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfonylamino]propanoate.
Chemical Property Profile of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate
Property Insights of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate
The XLogP value of 3.3048 indicates that methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate. Following Lipinski's Rule of Five, methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate has 1 hydrogen bond donor(s) and 6 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 methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate?
The CAS number of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate is 866144-35-6.
What is the molecular formula of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate?
The molecular formula of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate is C17H15Cl2NO6S.
What is the molecular weight of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate?
The molecular weight of methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate is 431.00 g/mol.
Where can I buy methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate?
You can request a quote for methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2,5-dichlorophenyl)sulfonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.