EINECS 298-857-0
TL;DR: EINECS 298-857-0 (CAS 93839-84-0) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
Also Known As: EINECS 298-857-0, 4-amino-n-[methyl]-5-2-methoxybenzamide, 4-amino-N-[ methyl]-5- -2-methoxybenzamide, 4-Amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-5-(ethylsulphonyl)-2-methoxybenzamide, 4-AMINO-N-[(1-BENZYL-2-PYRROLIDINYL)METHYL]-5-(ETHYLSULFONYL)-2-METHOXYBENZAMIDE
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 2.4654 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 992.94226 |
Chemical Identifiers
| CAS Number | 93839-84-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2CC3=CC=CC=C3)OC)N |
Product Overview
EINECS 298-857-0 (CAS 93839-84-0), with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol. IUPAC: 4-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide.
Chemical Property Profile of EINECS 298-857-0
Property Insights of EINECS 298-857-0
The XLogP value of 2.4654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 298-857-0. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 298-857-0. Following Lipinski's Rule of Five, EINECS 298-857-0 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 EINECS 298-857-0?
The CAS number of EINECS 298-857-0 is 93839-84-0.
What is the molecular formula of EINECS 298-857-0?
The molecular formula of EINECS 298-857-0 is C22H29N3O4S.
What is the molecular weight of EINECS 298-857-0?
The molecular weight of EINECS 298-857-0 is 431.19 g/mol.
Where can I buy EINECS 298-857-0?
You can request a quote for EINECS 298-857-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-857-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-857-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.