![(7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one structure](/static/products/115/115120-64-4.png)
(7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
TL;DR: (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one (CAS 115120-64-4) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one, (7S)-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-10-((2-hydroxyethyl)amino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C22H28N2O5 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 2.3505 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.19983 |
| Heavy Atoms | 29 |
| Complexity | 945.3062 |
Chemical Identifiers
| CAS Number | 115120-64-4 |
|---|---|
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCO)OC)OC)OC |
Product Overview
(7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one (CAS 115120-64-4), with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol. IUPAC: (7S)-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Property Insights of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
The XLogP value of 2.3505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one. Following Lipinski's Rule of Five, (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one has 3 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 (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The CAS number of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 115120-64-4.
What is the molecular formula of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The molecular formula of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is C22H28N2O5.
What is the molecular weight of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The molecular weight of (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 400.20 g/mol.
Where can I buy (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
You can request a quote for (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (7S)-10-[(2-hydroxyethyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.