RefChem:1055124
TL;DR: RefChem:1055124 (CAS 112853-82-4) is a chemical compound with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4aR,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-1-phenylbutan-1-one;(E)-but-2-enedioic acid
Also Known As: 1-Butanone, 4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-1-phenyl-, 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-phenylbutan-1-one; (E)-but-2-enedioic acid, RefChem:1055124
| Molecular Formula | C29H32N2O5 |
|---|---|
| Molecular Weight | 488.23 g/mol |
| LogP | 4.5795 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.2311 |
| Heavy Atoms | 36 |
| Complexity | 1231.0428 |
Chemical Identifiers
| CAS Number | 112853-82-4 |
|---|---|
| SMILES | C1CN(C[C@H]2[C@H]1CC3=C(C2)C4=CC=CC=C4N3)CCCC(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1055124 (CAS 112853-82-4), with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol. IUPAC: 4-[(4aR,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-1-phenylbutan-1-one;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1055124
Property Insights of RefChem:1055124
The XLogP value of 4.5795 indicates that RefChem:1055124 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:1055124. Following Lipinski's Rule of Five, RefChem:1055124 has 3 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 RefChem:1055124?
The CAS number of RefChem:1055124 is 112853-82-4.
What is the molecular formula of RefChem:1055124?
The molecular formula of RefChem:1055124 is C29H32N2O5.
What is the molecular weight of RefChem:1055124?
The molecular weight of RefChem:1055124 is 488.23 g/mol.
Where can I buy RefChem:1055124?
You can request a quote for RefChem:1055124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.