Di-t-butylcarbinylchlorid
TL;DR: Di-t-butylcarbinylchlorid (CAS 29728-52-7) is a chemical compound with molecular formula C26H37ClN2O4 and molecular weight 476.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
Also Known As: Di-t-butylcarbinylchlorid, Acetamide, N-(m-anisyl)-2-(p-butoxyphenoxy)-N-(1-methyl-2-(1-pyrrolidinyl)ethyl)-, hydrochloride, bis(2-methylpiperidin-1-yl)-phenylphosphane, m-Acetanisidide, 2-(p-butoxyphenoxy)-N-(1-methyl-2-(1-pyrrolidinyl)ethyl)-, hydrochloride, 2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
| Molecular Formula | C26H37ClN2O4 |
|---|---|
| Molecular Weight | 476.24 g/mol |
| LogP | 5.19 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 476.24417 |
| Heavy Atoms | 33 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 29728-52-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OCC(=O)N(C2=CC(=CC=C2)OC)C(C)CN3CCCC3.Cl |
| InChIKey | ICVKHEMEIVBIJF-UHFFFAOYSA-N |
Product Overview
Di-t-butylcarbinylchlorid (CAS 29728-52-7), with molecular formula C26H37ClN2O4 and molecular weight 476.24 g/mol. IUPAC: 2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride.
Chemical Property Profile of Di-t-butylcarbinylchlorid
Property Insights of Di-t-butylcarbinylchlorid
The XLogP value of 5.19 indicates that Di-t-butylcarbinylchlorid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Di-t-butylcarbinylchlorid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-t-butylcarbinylchlorid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-t-butylcarbinylchlorid?
The CAS number of Di-t-butylcarbinylchlorid is 29728-52-7.
What is the molecular formula of Di-t-butylcarbinylchlorid?
The molecular formula of Di-t-butylcarbinylchlorid is C26H37ClN2O4.
What is the molecular weight of Di-t-butylcarbinylchlorid?
The molecular weight of Di-t-butylcarbinylchlorid is 476.24 g/mol.
Where can I buy Di-t-butylcarbinylchlorid?
You can request a quote for Di-t-butylcarbinylchlorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-t-butylcarbinylchlorid?
Yes, KEHONG BIO provides custom synthesis services for Di-t-butylcarbinylchlorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.