methylpiperazine-1-carboxamide
TL;DR: methylpiperazine-1-carboxamide (CAS 648422-88-2) is a chemical compound with molecular formula C21H23ClN6O and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide
Also Known As: methylpiperazine-1-carboxamide, (2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-di, 1-?Piperazinecarboxamid?e, 4-?(3-?chloro-?4-?cyanophenyl)?-?N-?(2-?cyclopropyl-?5-?pyrimidinyl)?-?2,?5-?dimethyl-?, (2R,?5S)?-
| Molecular Formula | C21H23ClN6O |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 4.01018 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.1622 |
| Heavy Atoms | 29 |
| Complexity | 952.634 |
Chemical Identifiers
| CAS Number | 648422-88-2 |
|---|---|
| SMILES | C[C@@H]1CN([C@H](CN1C(=O)NC2=CN=C(N=C2)C3CC3)C)C4=CC(=C(C=C4)C#N)Cl |
Product Overview
methylpiperazine-1-carboxamide (CAS 648422-88-2), with molecular formula C21H23ClN6O and molecular weight 410.16 g/mol. IUPAC: (2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide.
Chemical Property Profile of methylpiperazine-1-carboxamide
Property Insights of methylpiperazine-1-carboxamide
The XLogP value of 4.01018 indicates that methylpiperazine-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methylpiperazine-1-carboxamide. Following Lipinski's Rule of Five, methylpiperazine-1-carboxamide 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 methylpiperazine-1-carboxamide?
The CAS number of methylpiperazine-1-carboxamide is 648422-88-2.
What is the molecular formula of methylpiperazine-1-carboxamide?
The molecular formula of methylpiperazine-1-carboxamide is C21H23ClN6O.
What is the molecular weight of methylpiperazine-1-carboxamide?
The molecular weight of methylpiperazine-1-carboxamide is 410.16 g/mol.
Where can I buy methylpiperazine-1-carboxamide?
You can request a quote for methylpiperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methylpiperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for methylpiperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.