6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one
TL;DR: 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one (CAS 158142-98-4) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-(tert-butylamino)-2-hydroxypropoxy]-6,7-dimethoxychromen-2-one
Also Known As: DTHPB, 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one, AE-842/31981041, 8-[3-(tert-butylamino)-2-hydroxypropoxy]-6,7-dimethoxychromen-2-one, 2H-1-Benzopyran-2-one,8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-6,7-dimethoxy-
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 1.938 |
| Topological Polar Surface Area | 90.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 777.45557 |
Chemical Identifiers
| CAS Number | 158142-98-4 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C2C(=CC(=C1OC)OC)C=CC(=O)O2)O |
Product Overview
6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one (CAS 158142-98-4), with molecular formula C18H25NO6 and molecular weight 351.17 g/mol. IUPAC: 8-[3-(tert-butylamino)-2-hydroxypropoxy]-6,7-dimethoxychromen-2-one.
Chemical Property Profile of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one
Property Insights of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one
The XLogP value of 1.938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one. The TPSA of 90.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one has 2 hydrogen bond donor(s) and 7 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 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one?
The CAS number of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one is 158142-98-4.
What is the molecular formula of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one?
The molecular formula of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one is C18H25NO6.
What is the molecular weight of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one?
The molecular weight of 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one is 351.17 g/mol.
Where can I buy 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one?
You can request a quote for 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-8-(3-tert-butylamino-2-hydroxypropoxy)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.