![7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](/static/products/5551/55511-32-5.webp)
7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
TL;DR: 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 55511-32-5) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one, 7-Amino-10-(butylsulfanyl)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 55511-32-5 |
|---|---|
| SMILES | CCCCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N |
| InChIKey | CWRLHXYQDDSODE-UHFFFAOYSA-N |
Product Overview
7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 55511-32-5), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Property Insights of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one has 1 hydrogen bond donor(s) and 6 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 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The CAS number of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 55511-32-5.
What is the molecular formula of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular formula of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is C23H29NO4S.
What is the molecular weight of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular weight of 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 415.18 g/mol.
Where can I buy 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
You can request a quote for 7-amino-10-butylsulfanyl-1,2,3-trimethoxy-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-amino-10-butylsulfanyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 7-amino-10-butylsulfanyl-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.