(Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 340307-55-3) is a chemical compound with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 4-{3-[(1Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate, methyl 4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate, Methyl 4-[3-[2-cyano-2-(naphthalen-2-ylcarbamoyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
| Molecular Formula | C28H23N3O3 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 5.57962 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.17395 |
| Heavy Atoms | 34 |
| Complexity | 1471.3063 |
Chemical Identifiers
| CAS Number | 340307-55-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C(/C#N)\C(=O)NC3=CC4=CC=CC=C4C=C3 |
Product Overview
(Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 340307-55-3), with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol. IUPAC: methyl 4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 5.57962 indicates that (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 340307-55-3.
What is the molecular formula of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C28H23N3O3.
What is the molecular weight of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 449.17 g/mol.
Where can I buy (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(3-(2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.