2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol
TL;DR: 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol (CAS 5436-04-4) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-2-(tert-butylamino)-1-[7-[(1R)-1-hydroxyethyl]-1-benzofuran-2-yl]ethanol
Also Known As: 2-Tbmbfd, 1'-Hydroxybufuralol, KST-1A0150, 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol, (1s)-2-(tert-butylamino)-1-{7-[(1r)-1-hydroxyethyl]-1-benzofuran-2-yl}ethanol
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5436-04-4 |
|---|---|
| SMILES | C[C@H](C1=CC=CC2=C1OC(=C2)[C@H](CNC(C)(C)C)O)O |
| InChIKey | GTYMTYBCXVOBBB-MFKMUULPSA-N |
Product Overview
2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol (CAS 5436-04-4), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: (1S)-2-(tert-butylamino)-1-[7-[(1R)-1-hydroxyethyl]-1-benzofuran-2-yl]ethanol.
Chemical Property Profile of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol
Property Insights of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol. Following Lipinski's Rule of Five, 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol has 3 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 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol?
The CAS number of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol is 5436-04-4.
What is the molecular formula of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol?
The molecular formula of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol is C16H23NO3.
What is the molecular weight of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol?
The molecular weight of 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol is 277.17 g/mol.
Where can I buy 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol?
You can request a quote for 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((tert-Butylamino)methyl)-7-methyl-2,7-benzofurandimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.