Darlingine
TL;DR: Darlingine (CAS 58471-10-6) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
Also Known As: J1.167.551D, 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one, 2,3,10-Trimethyl-6,7,8,9-tetrahydro-5,8-epiminocyclohepta[b]pyran-4(5H)-one, (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one, 4,5,12-trimethyl-6-oxa-12-azatricyclo(7.2.1.02,7)dodeca-2(7),4-dien-3-one
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 58471-10-6 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C3CCC(C2)N3C)C |
| InChIKey | WBTZDCUVPGAROE-UHFFFAOYSA-N |
Product Overview
Darlingine (CAS 58471-10-6), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one.
Chemical Property Profile of Darlingine
Property Insights of Darlingine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Darlingine. With a topological polar surface area (TPSA) of 29.5 Ų, Darlingine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Darlingine has 0 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 Darlingine?
The CAS number of Darlingine is 58471-10-6.
What is the molecular formula of Darlingine?
The molecular formula of Darlingine is C13H17NO2.
What is the molecular weight of Darlingine?
The molecular weight of Darlingine is 219.13 g/mol.
Where can I buy Darlingine?
You can request a quote for Darlingine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darlingine?
Yes, KEHONG BIO provides custom synthesis services for Darlingine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.