1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea
TL;DR: 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea (CAS 21579-70-4) is a chemical compound with molecular formula C15H21N3O3 and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(azepan-1-ylcarbamoylamino)benzoate
Also Known As: Methyl 2-(3-(azepan-1-yl)ureido)benzoate, Methyl 2-(azepan-1-ylcarbamoylamino)benzoate, methyl 2-{[(azepan-1-yl)carbamoyl]amino}benzoate, methyl 2-{[(1-azepanylamino)carbonyl]amino}benzoate, 1-(hexahydro-1h-azepin-1-yl)-3-(2-methoxycarbonyl)phenylurea
| Molecular Formula | C15H21N3O3 |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 2.3857 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.1583 |
| Heavy Atoms | 21 |
| Complexity | 496.69214 |
Chemical Identifiers
| CAS Number | 21579-70-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)NN2CCCCCC2 |
Product Overview
1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea (CAS 21579-70-4), with molecular formula C15H21N3O3 and molecular weight 291.16 g/mol. IUPAC: methyl 2-(azepan-1-ylcarbamoylamino)benzoate.
Chemical Property Profile of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea
Property Insights of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea
The XLogP value of 2.3857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea. Following Lipinski's Rule of Five, 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea 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 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea?
The CAS number of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea is 21579-70-4.
What is the molecular formula of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea?
The molecular formula of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea is C15H21N3O3.
What is the molecular weight of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea?
The molecular weight of 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea is 291.16 g/mol.
Where can I buy 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea?
You can request a quote for 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Hexahydro-1H-azepin-1-YL)-3-(2-methoxycarbonyl)phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.