Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate
TL;DR: Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate (CAS 301683-50-1) is a chemical compound with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamate
Also Known As: BIM-0026033.P001, methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate, VU0237932-4, AB00280666-04, F1065-0297
| Molecular Formula | C13H19N3O4S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.10962 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 301683-50-1 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC |
| InChIKey | MFHABSHMJVJUQD-UHFFFAOYSA-N |
Product Overview
Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate (CAS 301683-50-1), with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol. IUPAC: methyl N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamate.
Chemical Property Profile of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate
Property Insights of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate. Following Lipinski's Rule of Five, Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate has 1 hydrogen bond donor(s) and 6 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-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate?
The CAS number of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate is 301683-50-1.
What is the molecular formula of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate?
The molecular formula of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate is C13H19N3O4S.
What is the molecular weight of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate?
The molecular weight of Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate is 313.11 g/mol.
Where can I buy Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate?
You can request a quote for Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.