![Cryptand[2.2.1] structure](/static/products/3622/3622-62-6.webp)
Cryptand[2.2.1]
TL;DR: Cryptand[2.2.1] (CAS 3622-62-6) is a chemical compound with molecular formula C14H29IN2O2 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iodomethane;3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate
Also Known As: Cryptand[2.2.1], Piperazinium, 1(or 4)-(3-hydroxypropyl)-1,4(or 1,1)-dimethyl-, iodide, pivalate (ester), 1(or 4)-(3-Hydroxypropyl)-1,4(or 1,1)-dimethylpiperazinium iodide pivalate (ester), 3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate- iodomethane(1:1), iodomethane,3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate
| Molecular Formula | C14H29IN2O2 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.2644 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.12738 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 3622-62-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCCN1CCN(CC1)C.CI |
| InChIKey | MOLMXJDSSBWQQR-UHFFFAOYSA-N |
Product Overview
Cryptand[2.2.1] (CAS 3622-62-6), with molecular formula C14H29IN2O2 and molecular weight 384.13 g/mol. IUPAC: iodomethane;3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate.
Chemical Property Profile of Cryptand[2.2.1]
Property Insights of Cryptand[2.2.1]
The XLogP value of 2.2644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cryptand[2.2.1]. With a topological polar surface area (TPSA) of 32.8 Ų, Cryptand[2.2.1] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cryptand[2.2.1] has 0 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 Cryptand[2.2.1]?
The CAS number of Cryptand[2.2.1] is 3622-62-6.
What is the molecular formula of Cryptand[2.2.1]?
The molecular formula of Cryptand[2.2.1] is C14H29IN2O2.
What is the molecular weight of Cryptand[2.2.1]?
The molecular weight of Cryptand[2.2.1] is 384.13 g/mol.
Where can I buy Cryptand[2.2.1]?
You can request a quote for Cryptand[2.2.1] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cryptand[2.2.1]?
Yes, KEHONG BIO provides custom synthesis services for Cryptand[2.2.1] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.