1,2-Didehydro-3,11-epoxycrinan
TL;DR: 1,2-Didehydro-3,11-epoxycrinan (CAS 6900-81-8) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S,17R,19S)-6,8,16-trioxa-1-azahexacyclo[13.3.2.03,11.05,9.012,17.012,19]icosa-3,5(9),10,13-tetraene
Also Known As: Apohemanthamine, Macpca, 1,2-Didehydro-3,11-epoxycrinan, KST-1A8329, 1-(Malonylamino)cyclopropane-1-carboxylic cid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 6900-81-8 |
|---|---|
| SMILES | C1[C@H]2C=CC34[C@H]1N(C[C@@H]3O2)CC5=CC6=C(C=C45)OCO6 |
| InChIKey | QMGIUGSXVRJVRE-KFMVOITCSA-N |
Product Overview
1,2-Didehydro-3,11-epoxycrinan (CAS 6900-81-8), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: (15S,17R,19S)-6,8,16-trioxa-1-azahexacyclo[13.3.2.03,11.05,9.012,17.012,19]icosa-3,5(9),10,13-tetraene.
Chemical Property Profile of 1,2-Didehydro-3,11-epoxycrinan
Property Insights of 1,2-Didehydro-3,11-epoxycrinan
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Didehydro-3,11-epoxycrinan. With a topological polar surface area (TPSA) of 30.9 Ų, 1,2-Didehydro-3,11-epoxycrinan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Didehydro-3,11-epoxycrinan has 0 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 1,2-Didehydro-3,11-epoxycrinan?
The CAS number of 1,2-Didehydro-3,11-epoxycrinan is 6900-81-8.
What is the molecular formula of 1,2-Didehydro-3,11-epoxycrinan?
The molecular formula of 1,2-Didehydro-3,11-epoxycrinan is C16H15NO3.
What is the molecular weight of 1,2-Didehydro-3,11-epoxycrinan?
The molecular weight of 1,2-Didehydro-3,11-epoxycrinan is 269.11 g/mol.
Where can I buy 1,2-Didehydro-3,11-epoxycrinan?
You can request a quote for 1,2-Didehydro-3,11-epoxycrinan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Didehydro-3,11-epoxycrinan?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Didehydro-3,11-epoxycrinan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.