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Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate
TL;DR: Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate (CAS 325702-37-2) is a chemical compound with molecular formula C20H29N3O5S and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
Also Known As: ChemDiv1_022511, methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate, methyl (4-{[3-(1-azepanylcarbonyl)-1-piperidinyl]sulfonyl}phenyl)carbamate, methyl N-[4-[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
| Molecular Formula | C20H29N3O5S |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 2.6682 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1828 |
| Heavy Atoms | 29 |
| Complexity | 817.0234 |
Chemical Identifiers
| CAS Number | 325702-37-2 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3 |
Product Overview
Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate (CAS 325702-37-2), with molecular formula C20H29N3O5S and molecular weight 423.18 g/mol. IUPAC: methyl N-[4-[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate.
Chemical Property Profile of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate
Property Insights of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate
The XLogP value of 2.6682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate. Following Lipinski's Rule of Five, Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate has 1 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 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate?
The CAS number of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate is 325702-37-2.
What is the molecular formula of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate?
The molecular formula of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate is C20H29N3O5S.
What is the molecular weight of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate?
The molecular weight of Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate is 423.18 g/mol.
Where can I buy Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate?
You can request a quote for Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.