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N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯
TL;DR: N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 (CAS 13684-36-1) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯
[3-(methoxycarbonylamino)phenyl] N-butylcarbamate
Also Known As: Methyl m-hydroxycarbanilate, butylcarbamate, [3-(methoxycarbonylamino)phenyl] N-butylcarbamate, CARBANILIC ACID, m-HYDROXY-, METHYL ESTER, BUTYLCARBAMATE (ester), Methyl m-hydroxycarbanilate butylcarbamate, Methyl m-hydroxycarbanilate,butylcarbamate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 13684-36-1 |
|---|---|
| SMILES | CCCCNC(=O)OC1=CC=CC(=C1)NC(=O)OC |
| InChIKey | JGNLKFYGXRGIMJ-UHFFFAOYSA-N |
Product Overview
N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 (CAS 13684-36-1), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: [3-(methoxycarbonylamino)phenyl] N-butylcarbamate.
Chemical Property Profile of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯
Property Insights of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯. Following Lipinski's Rule of Five, N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 has 2 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 N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯?
The CAS number of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 is 13684-36-1.
What is the molecular formula of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯?
The molecular formula of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 is C13H18N2O4.
What is the molecular weight of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯?
The molecular weight of N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 is 266.13 g/mol.
Where can I buy N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯?
You can request a quote for N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for N-[间((丁氨基甲酰)氧)苯基]甲基氨基甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.