1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)
TL;DR: 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) (CAS 133994-52-2) is a chemical compound with molecular formula C29H34N2O5 and molecular weight 490.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
Also Known As: 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt), diethyl 2,6-dimethylbenzofuro[5,6-b]furan-3,7-dicarboxylate, alpha-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1H-indole-4-methanol benzoate, Benzoic acid--(2R)-1-(tert-butylamino)-3-{2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy}propan-2-ol (1/1), Benzoic acid--1-(tert-butylamino)-3-{2-[hydroxy(1H-indol-4-yl)methyl]phenoxy}propan-2-ol (1/1)
| Molecular Formula | C29H34N2O5 |
|---|---|
| Molecular Weight | 490.25 g/mol |
| LogP | 4.7622 |
| Topological Polar Surface Area | 114.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.24677 |
| Heavy Atoms | 36 |
| Complexity | 1247.2568 |
Chemical Identifiers
| CAS Number | 133994-52-2 |
|---|---|
| SMILES | CC(C)(C)NC[C@H](COC1=CC=CC=C1[C@@H](C2=C3C=CNC3=CC=C2)O)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) (CAS 133994-52-2), with molecular formula C29H34N2O5 and molecular weight 490.25 g/mol. IUPAC: benzoic acid;(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol.
Chemical Property Profile of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)
Property Insights of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)
The XLogP value of 4.7622 indicates that 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt). Following Lipinski's Rule of Five, 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) has 5 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 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)?
The CAS number of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) is 133994-52-2.
What is the molecular formula of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)?
The molecular formula of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) is C29H34N2O5.
What is the molecular weight of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)?
The molecular weight of 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) is 490.25 g/mol.
Where can I buy 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)?
You can request a quote for 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.