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Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
TL;DR: Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate (CAS 6296-40-8) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
Also Known As: methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate, METHYL 3-(4-{[(2-CHLOROETHYL)AMINO]METHYL}PHENYL)PROPANOATE
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 6296-40-8 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)CNCCCl |
| InChIKey | PGUODNDNZRLUBU-UHFFFAOYSA-N |
Product Overview
Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate (CAS 6296-40-8), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate.
Chemical Property Profile of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
Property Insights of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate has 1 hydrogen bond donor(s) and 3 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 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate?
The CAS number of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate is 6296-40-8.
What is the molecular formula of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate?
The molecular formula of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate is C13H18ClNO2.
What is the molecular weight of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate?
The molecular weight of Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate is 255.10 g/mol.
Where can I buy Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate?
You can request a quote for Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-[(2-chloroethylamino)methyl]phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.