N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide
TL;DR: N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide (CAS 71675-89-3) is a chemical compound with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-ethylsulfonyl-2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]benzamide
Also Known As: N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide, Benzamide, 4-amino-5-(ethylsulfonyl)-2-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-, 4-amino-5-ethylsulfonyl-2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]benzamide, N-((1-ALLYL-2-PYRROLIDINYL)METHYL)-2-METHOXY-4-AMINO-5-ETHYLSULFONYLBENZAMIDE, 4-Amino-5-(ethanesulfonyl)-2-methoxy-N-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}benzene-1-carboximidic acid
| Molecular Formula | C18H27N3O4S |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 1.4512 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.17224 |
| Heavy Atoms | 26 |
| Complexity | 776.88605 |
Chemical Identifiers
| CAS Number | 71675-89-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2CC=C)OC)N |
Product Overview
N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide (CAS 71675-89-3), with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol. IUPAC: 4-amino-5-ethylsulfonyl-2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]benzamide.
Chemical Property Profile of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide
Property Insights of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide
The XLogP value of 1.4512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide. Following Lipinski's Rule of Five, N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide has 2 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 N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide?
The CAS number of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide is 71675-89-3.
What is the molecular formula of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide?
The molecular formula of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide is C18H27N3O4S.
What is the molecular weight of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide?
The molecular weight of N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide is 381.17 g/mol.
Where can I buy N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide?
You can request a quote for N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((1-Allyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.