RefChem:1100073
TL;DR: RefChem:1100073 (CAS 31759-18-9) is a chemical compound with molecular formula C27H26ClNO5S and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
Also Known As: 2-((o-Chlorobenzyl)oxy)thioxanthene-delta(sup 9,gamma)-propylamine fumarate, 2-(2-Chlorobenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene hydrogen fumarate, Thioxanthene-delta(sup 9,gamma)-propylamine, 2-((o-chlorobenzyl)oxy)-, fumarate (1:1), (E)-but-2-enedioic acid; 3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine, RefChem:1100073
| Molecular Formula | C27H26ClNO5S |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 5.9662 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.122 |
| Heavy Atoms | 35 |
| Complexity | 1197.6809 |
Chemical Identifiers
| CAS Number | 31759-18-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100073 (CAS 31759-18-9), with molecular formula C27H26ClNO5S and molecular weight 511.12 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine.
Chemical Property Profile of RefChem:1100073
Property Insights of RefChem:1100073
The XLogP value of 5.9662 indicates that RefChem:1100073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100073. Following Lipinski's Rule of Five, RefChem:1100073 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100073?
The CAS number of RefChem:1100073 is 31759-18-9.
What is the molecular formula of RefChem:1100073?
The molecular formula of RefChem:1100073 is C27H26ClNO5S.
What is the molecular weight of RefChem:1100073?
The molecular weight of RefChem:1100073 is 511.12 g/mol.
Where can I buy RefChem:1100073?
You can request a quote for RefChem:1100073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100073?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.