![(7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](/static/products/121/1214632-48-0.webp)
(7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
TL;DR: (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 1214632-48-0) is a chemical compound with molecular formula C31H38N2O5 and molecular weight 518.2781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one, (7S,10E)-10-(butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate, (S)-10-(butylamino)-7-((2-hydroxybenzyl)(methyl)amino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Technical Specifications
| Molecular Formula | C31H38N2O5 |
| Molecular Weight | 518.2781 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.2781 Da |
| Heavy Atoms | 38 |
| Complexity | 899.0 |
| SMILES | CCCCNC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N(C)CC4=CC=CC=C4O |
| InChIKey | XRBZZHNXVCAUGZ-VWLOTQADSA-N |
Chemical Property Profile of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Property Insights of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
The XLogP value of 5.2 indicates that (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-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 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-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
What is the CAS number of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The CAS number of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 1214632-48-0.
What is the molecular formula of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular formula of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is C31H38N2O5.
What is the molecular weight of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular weight of (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 518.2781 g/mol.
Where can I buy (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
You can request a quote for (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
Yes, CoreyChem provides custom synthesis services for (7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.