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Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate
TL;DR: Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate (CAS 331828-36-5) is a chemical compound with molecular formula C18H21NO6S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
Also Known As: BIM-0027385.P001, methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate, methyl 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate, methyl 2-(N-benzyl-3,4-dimethoxyphenylsulfonamido)acetate, methyl 2-[N-benzyl(3,4-dimethoxybenzene)sulfonamido]acetate
| Molecular Formula | C18H21NO6S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 2.0677 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.10895 |
| Heavy Atoms | 26 |
| Complexity | 851.24 |
Chemical Identifiers
| CAS Number | 331828-36-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OC)OC |
Product Overview
Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate (CAS 331828-36-5), with molecular formula C18H21NO6S and molecular weight 379.11 g/mol. IUPAC: methyl 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate.
Chemical Property Profile of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate
Property Insights of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate
The XLogP value of 2.0677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate. Following Lipinski's Rule of Five, Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate has 0 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 {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate?
The CAS number of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate is 331828-36-5.
What is the molecular formula of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate?
The molecular formula of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate is C18H21NO6S.
What is the molecular weight of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate?
The molecular weight of Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate is 379.11 g/mol.
Where can I buy Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate?
You can request a quote for Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.