Hainanensine
TL;DR: Hainanensine (CAS 83619-86-7) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.03,7.08,19.012,16]nonadeca-1,3(7),8(19),11-tetraen-10-one
Also Known As: Hainanensine, J2.836.443A, 1H-Cyclopenta(jk)(1,3)dioxolo(4,5-h)pyrrolo(2,1-b)(3)benzazepin-1-one, 2,7,8,10,11,12-hexahydro-2-hydroxy-2-methyl-, 9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.03,7.08,19.012,16]nonadeca-1,3(7),8(19),11-tetraen-10-one, 1H-Cyclopenta(jk)(1,3)dioxolo(4,5-h)pyrrolo(2,1-b)(3)benzazepin-1-one,2,7,8,10,11,12-hexahydro-2-hydroxy-2-methyl
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 83619-86-7 |
|---|---|
| SMILES | CC1(C2=C3C(=CC4=C2OCO4)CCN5CCCC5=C3C1=O)O |
| InChIKey | JIRBNIFNFVADKU-UHFFFAOYSA-N |
Product Overview
Hainanensine (CAS 83619-86-7), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.03,7.08,19.012,16]nonadeca-1,3(7),8(19),11-tetraen-10-one.
Chemical Property Profile of Hainanensine
Property Insights of Hainanensine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hainanensine. With a topological polar surface area (TPSA) of 59.0 Ų, Hainanensine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hainanensine has 1 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 Hainanensine?
The CAS number of Hainanensine is 83619-86-7.
What is the molecular formula of Hainanensine?
The molecular formula of Hainanensine is C17H17NO4.
What is the molecular weight of Hainanensine?
The molecular weight of Hainanensine is 299.12 g/mol.
Where can I buy Hainanensine?
You can request a quote for Hainanensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hainanensine?
Yes, KEHONG BIO provides custom synthesis services for Hainanensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.