AB01334654-02
TL;DR: AB01334654-02 (CAS 1008938-78-0) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Also Known As: AB01334654-02, 1,7,7-trimethyl-4-[({[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]amino}oxy)carbonyl]bicyclo[2.2.1]heptan-2-one, (1S)-1,7,7-trimethyl-4-((((E)-((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)oxy)carbonyl)bicyclo[2.2.1]heptan-2-one, [(E)-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanylidene)amino] 1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 4.5173 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 705.92975 |
Chemical Identifiers
| CAS Number | 1008938-78-0 |
|---|---|
| SMILES | CC1(C2CCC1(/C(=N/OC(=O)C34CCC(C3(C)C)(C(=O)C4)C)/C2)C)C |
Product Overview
AB01334654-02 (CAS 1008938-78-0), with molecular formula C21H31NO3 and molecular weight 345.23 g/mol. IUPAC: [(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of AB01334654-02
Property Insights of AB01334654-02
The XLogP value of 4.5173 indicates that AB01334654-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, AB01334654-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01334654-02 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 AB01334654-02?
The CAS number of AB01334654-02 is 1008938-78-0.
What is the molecular formula of AB01334654-02?
The molecular formula of AB01334654-02 is C21H31NO3.
What is the molecular weight of AB01334654-02?
The molecular weight of AB01334654-02 is 345.23 g/mol.
Where can I buy AB01334654-02?
You can request a quote for AB01334654-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01334654-02?
Yes, KEHONG BIO provides custom synthesis services for AB01334654-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.