BRN 0449051
TL;DR: BRN 0449051 (CAS 57846-32-9) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: 5-22-05-00244 (Beilstein Handbook Reference), Indole-3-acetic acid, 1-((N-hydroxycarbamoyl)methyl)-5-methoxy-2-methyl-, tert-butyl ester, 1-((N-Hydroxycarbamoyl)methyl)-5-methoxy-2-methylindole-3-acetic acid tert-butyl ester, Acido 2-metil-5-metossi-3-(carbo-tert-butossi-metil)-1-indolilacetoidrossammico [Italian], Acido 2-metil-5-metossi-3-(carbo-tert-butossi-metil)-1-indolilacetoidrossammico
| Molecular Formula | C18H24N2O5 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.16852 |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 57846-32-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC(=O)NO)C=CC(=C2)OC)CC(=O)OC(C)(C)C |
| InChIKey | VGCCTCQNIABQBA-UHFFFAOYSA-N |
Product Overview
BRN 0449051 (CAS 57846-32-9), with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol. IUPAC: tert-butyl 2-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of BRN 0449051
Property Insights of BRN 0449051
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0449051. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0449051. Following Lipinski's Rule of Five, BRN 0449051 has 2 hydrogen bond donor(s) and 5 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 BRN 0449051?
The CAS number of BRN 0449051 is 57846-32-9.
What is the molecular formula of BRN 0449051?
The molecular formula of BRN 0449051 is C18H24N2O5.
What is the molecular weight of BRN 0449051?
The molecular weight of BRN 0449051 is 348.17 g/mol.
Where can I buy BRN 0449051?
You can request a quote for BRN 0449051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0449051?
Yes, KEHONG BIO provides custom synthesis services for BRN 0449051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.