Aristololactam IIIa
TL;DR: Aristololactam IIIa (CAS 97399-89-8) is a chemical compound with molecular formula C16H9NO4 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Also Known As: Aristololactam IIIa, aristolactam IIIA, 3,4-Methylenedioxy-10-hydroxy aristololactam, 10-Hydroxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one,10-hydroxy-
| Molecular Formula | C16H9NO4 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.993 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.05316 |
| Heavy Atoms | 21 |
| Complexity | 977.3208 |
Chemical Identifiers
| CAS Number | 97399-89-8 |
|---|---|
| SMILES | C1OC2=C(O1)C3=C4C=C(C=CC4=CC5=C3C(=C2)C(=O)N5)O |
Product Overview
Aristololactam IIIa (CAS 97399-89-8), with molecular formula C16H9NO4 and molecular weight 279.05 g/mol. IUPAC: 16-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one.
Chemical Property Profile of Aristololactam IIIa
Property Insights of Aristololactam IIIa
The XLogP value of 2.993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aristololactam IIIa. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristololactam IIIa. Following Lipinski's Rule of Five, Aristololactam IIIa has 2 hydrogen bond donor(s) and 4 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 Aristololactam IIIa?
The CAS number of Aristololactam IIIa is 97399-89-8.
What is the molecular formula of Aristololactam IIIa?
The molecular formula of Aristololactam IIIa is C16H9NO4.
What is the molecular weight of Aristololactam IIIa?
The molecular weight of Aristololactam IIIa is 279.05 g/mol.
Where can I buy Aristololactam IIIa?
You can request a quote for Aristololactam IIIa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristololactam IIIa?
Yes, KEHONG BIO provides custom synthesis services for Aristololactam IIIa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.