RefChem:1055112
TL;DR: RefChem:1055112 (CAS 112853-81-3) is a chemical compound with molecular formula C29H31FN2O5 and molecular weight 506.2217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4aR,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-1-(4-fluorophenyl)butan-1-one;(E)-but-2-enedioic acid
Also Known As: 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-, (E)-2-butenedioate (1:1), 4-[(4aR,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-1-(4-fluorophenyl)butan-1-one; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C29H31FN2O5 |
| Molecular Weight | 506.2217 g/mol |
| XLogP | 4.7186 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.2217 Da |
| Heavy Atoms | 37 |
| Complexity | 694.0 |
| SMILES | C1CN(C[C@H]2[C@H]1CC3=C(C2)C4=CC=CC=C4N3)CCCC(=O)C5=CC=C(C=C5)F.C(=C/C(=O)O)\C(=O)O |
| InChIKey | IEIHCXTXNCVIAZ-TVKQSPFFSA-N |
Chemical Property Profile of RefChem:1055112
Property Insights of RefChem:1055112
The XLogP value of 4.7186 indicates that RefChem:1055112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055112. Following Lipinski's Rule of Five, RefChem:1055112 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1055112?
The CAS number of RefChem:1055112 is 112853-81-3.
What is the molecular formula of RefChem:1055112?
The molecular formula of RefChem:1055112 is C29H31FN2O5.
What is the molecular weight of RefChem:1055112?
The molecular weight of RefChem:1055112 is 506.2217 g/mol.
Where can I buy RefChem:1055112?
You can request a quote for RefChem:1055112 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055112?
Yes, CoreyChem provides custom synthesis services for RefChem:1055112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.