RefChem:1055113
TL;DR: RefChem:1055113 (CAS 112853-80-2) is a chemical compound with molecular formula C29H31FN2O5 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4aR,11aS)-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-, cis-, (E)-2-butenedioate (1:1), 4-[(4aR,11aS)-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, RefChem:1055113
| Molecular Formula | C29H31FN2O5 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 4.7186 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.2217 |
| Heavy Atoms | 37 |
| Complexity | 1281.3743 |
Chemical Identifiers
| CAS Number | 112853-80-2 |
|---|---|
| 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 |
Product Overview
RefChem:1055113 (CAS 112853-80-2), with molecular formula C29H31FN2O5 and molecular weight 506.22 g/mol. IUPAC: 4-[(4aR,11aS)-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.
Chemical Property Profile of RefChem:1055113
Property Insights of RefChem:1055113
The XLogP value of 4.7186 indicates that RefChem:1055113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055113. Following Lipinski's Rule of Five, RefChem:1055113 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1055113?
The CAS number of RefChem:1055113 is 112853-80-2.
What is the molecular formula of RefChem:1055113?
The molecular formula of RefChem:1055113 is C29H31FN2O5.
What is the molecular weight of RefChem:1055113?
The molecular weight of RefChem:1055113 is 506.22 g/mol.
Where can I buy RefChem:1055113?
You can request a quote for RefChem:1055113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.