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Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate
TL;DR: Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate (CAS 76862-13-0) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-[(4-chlorophenyl)methylideneamino]-3-(dimethylamino)prop-2-enoate
Also Known As: methyl (2E)-2-[(E)-[(4-chlorophenyl)methylidene]amino]-3-(dimethylamino)prop-2-enoate, 5F-017, methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate, methyl (E)-2-[(4-chlorophenyl)methylideneamino]-3-(dimethylamino)prop-2-enoate, methyl(2E)-2-[(E)-[(4-chlorophenyl)methylidene]amino]-3-(dimethylamino)prop-2-enoate
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.3349 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 464.38452 |
Chemical Identifiers
| CAS Number | 76862-13-0 |
|---|---|
| SMILES | CN(C)/C=C(\C(=O)OC)/N=CC1=CC=C(C=C1)Cl |
Product Overview
Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate (CAS 76862-13-0), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: methyl (E)-2-[(4-chlorophenyl)methylideneamino]-3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate
Property Insights of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate
The XLogP value of 2.3349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate. With a topological polar surface area (TPSA) of 41.9 Ų, Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate 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 Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate?
The CAS number of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate is 76862-13-0.
What is the molecular formula of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate?
The molecular formula of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate is C13H15ClN2O2.
What is the molecular weight of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate?
The molecular weight of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate is 266.08 g/mol.
Where can I buy Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate?
You can request a quote for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-(dimethylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.