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Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
TL;DR: Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate (CAS 18595-32-9) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
Also Known As: TimTec1_006377, methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate, BAS 00535197, methyl 3-[bis(2-hydroxyethyl)amino]-4-methyl-benzoate, 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoic acid methyl ester
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 18595-32-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)N(CCO)CCO |
| InChIKey | YTXWVEKQZDTPIF-UHFFFAOYSA-N |
Product Overview
Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate (CAS 18595-32-9), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate.
Chemical Property Profile of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
Property Insights of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate. Following Lipinski's Rule of Five, Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate 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 Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate?
The CAS number of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate is 18595-32-9.
What is the molecular formula of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate?
The molecular formula of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate is C13H19NO4.
What is the molecular weight of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate?
The molecular weight of Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate is 253.13 g/mol.
Where can I buy Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate?
You can request a quote for Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.