马兜铃内酰胺II
TL;DR: 马兜铃内酰胺II (CAS 55610-00-9) is a chemical compound with molecular formula C16H9NO3 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马兜铃内酰胺II
3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one
Also Known As: Aristolactam II, Aristololactam II, Cepharanone A, aristolactam-II, Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one
| Molecular Formula | C16H9NO3 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.05826 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 55610-00-9 |
|---|---|
| SMILES | C1OC2=C(O1)C3=C4C(=C2)C(=O)NC4=CC5=CC=CC=C53 |
| InChIKey | KPVDACWQNCRKTG-UHFFFAOYSA-N |
Product Overview
马兜铃内酰胺II (CAS 55610-00-9), with molecular formula C16H9NO3 and molecular weight 263.06 g/mol. IUPAC: 3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one.
Chemical Property Profile of 马兜铃内酰胺II
Property Insights of 马兜铃内酰胺II
The XLogP value of 3.1 indicates that 马兜铃内酰胺II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 马兜铃内酰胺II exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 马兜铃内酰胺II has 1 hydrogen bond donor(s) and 3 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 马兜铃内酰胺II?
The CAS number of 马兜铃内酰胺II is 55610-00-9.
What is the molecular formula of 马兜铃内酰胺II?
The molecular formula of 马兜铃内酰胺II is C16H9NO3.
What is the molecular weight of 马兜铃内酰胺II?
The molecular weight of 马兜铃内酰胺II is 263.06 g/mol.
Where can I buy 马兜铃内酰胺II?
You can request a quote for 马兜铃内酰胺II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马兜铃内酰胺II?
Yes, KEHONG BIO provides custom synthesis services for 马兜铃内酰胺II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.