EINECS 258-550-4
TL;DR: EINECS 258-550-4 (CAS 53425-82-4) is a chemical compound with molecular formula C18H25N3O4 and molecular weight 347.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1-acetyl-6-methyl-7-nitro-3,4-dihydro-2H-quinolin-2-yl)methyl]-N-propan-2-ylacetamide
Also Known As: N-((1-Acetyl-1,2,3,4-tetrahydro-6-methyl-7-nitro-2-quinolyl)methyl)-N-isopropylacetamide, N-[(1-acetyl-6-methyl-7-nitro-3,4-dihydro-2H-quinolin-2-yl)methyl]-N-propan-2-ylacetamide, N-[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-METHYL-7-NITRO-2-QUINOLYL)METHYL]-N-ISOPROPYLACETAMIDE, N-[(1-Acetyl-6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]-N-(propan-2-yl)acetamide, 1-Acetyl-2-(N-acetyl-isopropylaminomethyl)-6-methyl-7-nitro-1,2,3,4-tetrahydrochinolin
| Molecular Formula | C18H25N3O4 |
|---|---|
| Molecular Weight | 347.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1845 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 53425-82-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1[N+](=O)[O-])N(C(CC2)CN(C(C)C)C(=O)C)C(=O)C |
| InChIKey | SOHBKIPPFVSCJH-UHFFFAOYSA-N |
Product Overview
EINECS 258-550-4 (CAS 53425-82-4), with molecular formula C18H25N3O4 and molecular weight 347.18 g/mol. IUPAC: N-[(1-acetyl-6-methyl-7-nitro-3,4-dihydro-2H-quinolin-2-yl)methyl]-N-propan-2-ylacetamide.
Chemical Property Profile of EINECS 258-550-4
Property Insights of EINECS 258-550-4
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 258-550-4. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-550-4. Following Lipinski's Rule of Five, EINECS 258-550-4 has 0 hydrogen bond donor(s) and 4 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 258-550-4?
The CAS number of EINECS 258-550-4 is 53425-82-4.
What is the molecular formula of EINECS 258-550-4?
The molecular formula of EINECS 258-550-4 is C18H25N3O4.
What is the molecular weight of EINECS 258-550-4?
The molecular weight of EINECS 258-550-4 is 347.18 g/mol.
Where can I buy EINECS 258-550-4?
You can request a quote for EINECS 258-550-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-550-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-550-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.