![1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene structure](/static/products/5166/51665-96-4.webp)
1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene
TL;DR: 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene (CAS 51665-96-4) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methoxy-17-methyl-4,6,10-trioxa-17-azahexacyclo[16.3.1.03,7.08,21.011,20.014,19]docosa-1,3(7),8(21),11,13,19-hexaene
Also Known As: 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene, 12-Methoxy-17-methyl-4,6,10-trioxa-17-azahexacyclo[16.3.1.03,7.08,21.011,20.014,19]docosa-1,3(7),8(21),11,13,19-hexaene
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 51665-96-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC |
| InChIKey | HTVMVWQFFXTALI-UHFFFAOYSA-N |
Product Overview
1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene (CAS 51665-96-4), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: 12-methoxy-17-methyl-4,6,10-trioxa-17-azahexacyclo[16.3.1.03,7.08,21.011,20.014,19]docosa-1,3(7),8(21),11,13,19-hexaene.
Chemical Property Profile of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene
Property Insights of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene. With a topological polar surface area (TPSA) of 40.2 Ų, 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene has 0 hydrogen bond donor(s) and 5 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 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene?
The CAS number of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene is 51665-96-4.
What is the molecular formula of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene?
The molecular formula of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene is C20H19NO4.
What is the molecular weight of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene?
The molecular weight of 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene is 337.13 g/mol.
Where can I buy 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene?
You can request a quote for 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-5-methyl-4,5,5a,11-tetrahydro-3H,6H,9H-8,10,12-trioxa-5-azabenzo[fg]cyclopenta[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.