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Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate
TL;DR: Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate (CAS 66096-01-3) is a chemical compound with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate
Also Known As: methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate, 4-(Bis-(2-chlorethyl)-amino)-salicylsaeure-methylester, Benzoicacid, 4-[bis(2-chloroethyl)amino]-2-hydroxy-, methylester
| Molecular Formula | C12H15Cl2NO3 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.0429 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 66096-01-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N(CCCl)CCCl)O |
| InChIKey | VEEVGQHJEPXUDM-UHFFFAOYSA-N |
Product Overview
Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate (CAS 66096-01-3), with molecular formula C12H15Cl2NO3 and molecular weight 291.04 g/mol. IUPAC: methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate.
Chemical Property Profile of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate
Property Insights of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate
The XLogP value of 3.3 indicates that Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate has 1 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 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate?
The CAS number of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate is 66096-01-3.
What is the molecular formula of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate?
The molecular formula of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate is C12H15Cl2NO3.
What is the molecular weight of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate?
The molecular weight of Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate is 291.04 g/mol.
Where can I buy Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate?
You can request a quote for Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[bis(2-chloroethyl)amino]-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.