Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-
TL;DR: Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- (CAS 81698-41-1) is a chemical compound with molecular formula C22H34Cl2N2O2 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1R,2S)-1,2-bis(butylamino)-2-(4-hydroxyphenyl)ethyl]phenol;dihydrochloride
Also Known As: Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-, (R*,S*)-4,4'-(1,2-Bis(butylamino)-1,2-ethanediyl)bisphenol dihydrochloride, 4,4'-[(1R,2S)-1,2-Bis(butylamino)ethane-1,2-diyl]diphenol--hydrogen chloride (1/2), 4-[(1R,2S)-1,2-bis(butylamino)-2-(4-hydroxyphenyl)ethyl]phenol dihydrochloride
| Molecular Formula | C22H34Cl2N2O2 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | 5.5032 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.19974 |
| Heavy Atoms | 28 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 81698-41-1 |
|---|---|
| SMILES | CCCCN[C@H](C1=CC=C(C=C1)O)[C@H](C2=CC=C(C=C2)O)NCCCC.Cl.Cl |
| InChIKey | IYIXVFDNTKZTMG-WANFXGKWSA-N |
Product Overview
Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- (CAS 81698-41-1), with molecular formula C22H34Cl2N2O2 and molecular weight 428.20 g/mol. IUPAC: 4-[(1R,2S)-1,2-bis(butylamino)-2-(4-hydroxyphenyl)ethyl]phenol;dihydrochloride.
Chemical Property Profile of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-
Property Insights of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-
The XLogP value of 5.5032 indicates that Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-. Following Lipinski's Rule of Five, Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-?
The CAS number of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- is 81698-41-1.
What is the molecular formula of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-?
The molecular formula of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- is C22H34Cl2N2O2.
What is the molecular weight of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-?
The molecular weight of Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- is 428.20 g/mol.
Where can I buy Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-?
You can request a quote for Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4,4'-(1,2-bis(butylamino)-1,2-ethanediyl)bis-, dihydrochloride, (R*,S*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.