1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine
TL;DR: 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine (CAS 63641-77-0) is a chemical compound with molecular formula C17H24N4O3 and molecular weight 332.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine
Also Known As: (C9-H6-N2-O2.C5-H12-N2.C3-H6-O)x-, Piperazine, 2-methyl-, polymer with 1,3-diisocyanatomethylbenzene and methyloxirane, 1,3-diisocyanato-2-methylbenzene; 2-methyloxirane; 2-methylpiperazine, Piperazine, 2-methyl-, polymer with 1,3-diisocyanatomethylbenzene and 2-methyloxirane
| Molecular Formula | C17H24N4O3 |
|---|---|
| Molecular Weight | 332.18 g/mol |
| LogP | 1.90242 |
| Topological Polar Surface Area | 95.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.18484 |
| Heavy Atoms | 24 |
| Complexity | 561.6033 |
Chemical Identifiers
| CAS Number | 63641-77-0 |
|---|---|
| SMILES | CC1CNCCN1.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O |
Product Overview
1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine (CAS 63641-77-0), with molecular formula C17H24N4O3 and molecular weight 332.18 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine
Property Insights of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine
The XLogP value of 1.90242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine. The TPSA of 95.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine. Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine has 2 hydrogen bond donor(s) and 7 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 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine?
The CAS number of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine is 63641-77-0.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine is C17H24N4O3.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine is 332.18 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene;2-methyloxirane;2-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.