RefChem:331949
TL;DR: RefChem:331949 (CAS 5904-24-5) is a chemical compound with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxoindol-3-yl]methyl N-(2-hydroxyethyl)carbamate
Also Known As: Carbamic acid, (2-hydroxyethyl)-, ester with 5-(1-aziridinyl)-1-ethyl-3-(hydroxymethyl)-2,6-dimethylindole-4,7-dione, 1-Ethyl-2,6-dimethyl-5-ethyleniminoindoloquinone N-(beta-hydroxyethyl)carbamate, [5-(Aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]methyl (2-hydroxyethyl)carbamate, [5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxoindol-3-yl]methyl N-(2-hydroxyethyl)carbamate, BRN 0500303
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 5904-24-5 |
|---|---|
| SMILES | CCN1C(=C(C2=C1C(=O)C(=C(C2=O)N3CC3)C)COC(=O)NCCO)C |
| InChIKey | JAGGLGAHGOHKCT-UHFFFAOYSA-N |
Product Overview
RefChem:331949 (CAS 5904-24-5), with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol. IUPAC: [5-(aziridin-1-yl)-1-ethyl-2,6-dimethyl-4,7-dioxoindol-3-yl]methyl N-(2-hydroxyethyl)carbamate.
Chemical Property Profile of RefChem:331949
Property Insights of RefChem:331949
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331949. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331949. Following Lipinski's Rule of Five, RefChem:331949 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 RefChem:331949?
The CAS number of RefChem:331949 is 5904-24-5.
What is the molecular formula of RefChem:331949?
The molecular formula of RefChem:331949 is C18H23N3O5.
What is the molecular weight of RefChem:331949?
The molecular weight of RefChem:331949 is 361.16 g/mol.
Where can I buy RefChem:331949?
You can request a quote for RefChem:331949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.