2,3-Dihydrodarlingine
TL;DR: 2,3-Dihydrodarlingine (CAS 72362-48-2) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 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]dodec-2(7)-en-3-one
Also Known As: 2,3-Dihydrodarlingine, 2,3-Darlingine, J2.380.403D, Cyclohepta(b)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-2,3,10-trimethyl-, 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 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 | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 72362-48-2 |
|---|---|
| SMILES | CC1C(OC2=C(C1=O)C3CCC(C2)N3C)C |
| InChIKey | NFKOVCVVWNXFIF-UHFFFAOYSA-N |
Product Overview
2,3-Dihydrodarlingine (CAS 72362-48-2), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one.
Chemical Property Profile of 2,3-Dihydrodarlingine
Property Insights of 2,3-Dihydrodarlingine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydrodarlingine. With a topological polar surface area (TPSA) of 29.5 Ų, 2,3-Dihydrodarlingine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydrodarlingine 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 2,3-Dihydrodarlingine?
The CAS number of 2,3-Dihydrodarlingine is 72362-48-2.
What is the molecular formula of 2,3-Dihydrodarlingine?
The molecular formula of 2,3-Dihydrodarlingine is C13H19NO2.
What is the molecular weight of 2,3-Dihydrodarlingine?
The molecular weight of 2,3-Dihydrodarlingine is 221.14 g/mol.
Where can I buy 2,3-Dihydrodarlingine?
You can request a quote for 2,3-Dihydrodarlingine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydrodarlingine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydrodarlingine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.