RefChem:1065318
TL;DR: RefChem:1065318 (CAS 112853-79-9) is a chemical compound with molecular formula C24H33N3O4 and molecular weight 427.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,11aS)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid
Also Known As: 2H-Pyrido(4,3-b)carbazole-2-propanamine, 1,3,4,4a,5,6,11,11a-octahydro-N,N-dimethyl-, cis-, (E)-2-butenedioate (1:1), 3-[(4aR,11aS)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-N,N-dimethylpropan-1-amine; (E)-but-2-enedioic acid, RefChem:1065318
| Molecular Formula | C24H33N3O4 |
|---|---|
| Molecular Weight | 427.25 g/mol |
| LogP | 2.8681 |
| Topological Polar Surface Area | 96.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.2471 |
| Heavy Atoms | 31 |
| Complexity | 918.04736 |
Chemical Identifiers
| CAS Number | 112853-79-9 |
|---|---|
| SMILES | CN(C)CCCN1CC[C@@H]2CC3=C(C[C@@H]2C1)C4=CC=CC=C4N3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1065318 (CAS 112853-79-9), with molecular formula C24H33N3O4 and molecular weight 427.25 g/mol. IUPAC: 3-[(4aR,11aS)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1065318
Property Insights of RefChem:1065318
The XLogP value of 2.8681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065318. The TPSA of 96.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065318. Following Lipinski's Rule of Five, RefChem:1065318 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:1065318?
The CAS number of RefChem:1065318 is 112853-79-9.
What is the molecular formula of RefChem:1065318?
The molecular formula of RefChem:1065318 is C24H33N3O4.
What is the molecular weight of RefChem:1065318?
The molecular weight of RefChem:1065318 is 427.25 g/mol.
Where can I buy RefChem:1065318?
You can request a quote for RefChem:1065318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065318?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.