![7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](/static/products/4572/4572-35-4.webp)
7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
TL;DR: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 4572-35-4) is a chemical compound with molecular formula C31H38N2O5 and molecular weight 518.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 7-{[(2-Hydroxyphenyl)methyl](methyl)amino}-1,2,3-trimethoxy-10-[(2-methylpropyl)amino]-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C31H38N2O5 |
|---|---|
| Molecular Weight | 518.28 g/mol |
| LogP | 5.6324 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.2781 |
| Heavy Atoms | 38 |
| Complexity | 1354.8966 |
Chemical Identifiers
| CAS Number | 4572-35-4 |
|---|---|
| SMILES | CC(C)CNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N(C)CC4=CC=CC=C4O |
Product Overview
7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 4572-35-4), with molecular formula C31H38N2O5 and molecular weight 518.28 g/mol. IUPAC: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Property Insights of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
The XLogP value of 5.6324 indicates that 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The CAS number of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 4572-35-4.
What is the molecular formula of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular formula of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is C31H38N2O5.
What is the molecular weight of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular weight of 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 518.28 g/mol.
Where can I buy 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
You can request a quote for 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.