BAS 00550411
TL;DR: BAS 00550411 (CAS 331749-87-2) is a chemical compound with molecular formula C24H24BrN5O3 and molecular weight 509.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
Also Known As: BAS 00550411, N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxyacetamide, (E)-N'-((1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-((3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl)oxy)acetohydrazide, N'-{(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}acetohydrazide, N-{(1E)-2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-azavinyl}-2-[3-cyano-4 -(methoxymethyl)-6-methyl(2-pyridyloxy)]acetamide
| Molecular Formula | C24H24BrN5O3 |
|---|---|
| Molecular Weight | 509.11 g/mol |
| LogP | 4.10724 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.10626 |
| Heavy Atoms | 33 |
| Complexity | 1226.3772 |
Chemical Identifiers
| CAS Number | 331749-87-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)OCC(=O)N/N=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)C#N)COC |
Product Overview
BAS 00550411 (CAS 331749-87-2), with molecular formula C24H24BrN5O3 and molecular weight 509.11 g/mol. IUPAC: N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide.
Chemical Property Profile of BAS 00550411
Property Insights of BAS 00550411
The XLogP value of 4.10724 indicates that BAS 00550411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00550411. Following Lipinski's Rule of Five, BAS 00550411 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00550411?
The CAS number of BAS 00550411 is 331749-87-2.
What is the molecular formula of BAS 00550411?
The molecular formula of BAS 00550411 is C24H24BrN5O3.
What is the molecular weight of BAS 00550411?
The molecular weight of BAS 00550411 is 509.11 g/mol.
Where can I buy BAS 00550411?
You can request a quote for BAS 00550411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00550411?
Yes, KEHONG BIO provides custom synthesis services for BAS 00550411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.