EINECS 257-723-1
TL;DR: EINECS 257-723-1 (CAS 52187-21-0) is a chemical compound with molecular formula C20H31NO4 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-yl)oxy]propan-2-ol
Also Known As: 1-(tert-Butylamino)-3-((3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho(2,3-d)-1,3-dioxol-5-yl)oxy)propan-2-ol, 1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydronaphtho[2,3-d][1,3]dioxol-5-yl)oxy]propan-2-ol, 1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-yl)oxy]propan-2-ol, 1-(tert-butylamino)-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]propan-2-ol, 1-(TERT-BUTYLAMINO)-3-({2,2-DIMETHYL-2H,3AH,4H,9H,9AH-NAPHTHO[2,3-D][1,3]DIOXOL-5-YL}OXY)PROPAN-2-OL
| Molecular Formula | C20H31NO4 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.2253 |
| Heavy Atoms | 25 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 52187-21-0 |
|---|---|
| SMILES | CC1(OC2CC3=C(CC2O1)C(=CC=C3)OCC(CNC(C)(C)C)O)C |
| InChIKey | FCJKHKZRHROKDA-UHFFFAOYSA-N |
Product Overview
EINECS 257-723-1 (CAS 52187-21-0), with molecular formula C20H31NO4 and molecular weight 349.23 g/mol. IUPAC: 1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-yl)oxy]propan-2-ol.
Chemical Property Profile of EINECS 257-723-1
Property Insights of EINECS 257-723-1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 257-723-1. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 257-723-1. Following Lipinski's Rule of Five, EINECS 257-723-1 has 2 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 EINECS 257-723-1?
The CAS number of EINECS 257-723-1 is 52187-21-0.
What is the molecular formula of EINECS 257-723-1?
The molecular formula of EINECS 257-723-1 is C20H31NO4.
What is the molecular weight of EINECS 257-723-1?
The molecular weight of EINECS 257-723-1 is 349.23 g/mol.
Where can I buy EINECS 257-723-1?
You can request a quote for EINECS 257-723-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-723-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-723-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.