RefChem:1100080
TL;DR: RefChem:1100080 (CAS 15931-06-3) is a chemical compound with molecular formula C27H33NO4S and molecular weight 467.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(3E)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine
Also Known As: Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-pentyl-, fumarate, hydrate, (E)-, trans-2-n-Amyl-9-(3-dimethylaminopropylidene)thioxanthene, (E)-N,N-Dimethyl-2-pentylthioxanthene-delta(sup 9,gamma)-propylamine fumarate hydrate, (E)-but-2-enedioic acid; (3E)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine, RefChem:1100080
| Molecular Formula | C27H33NO4S |
|---|---|
| Molecular Weight | 467.21 g/mol |
| LogP | 5.9791 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.21304 |
| Heavy Atoms | 33 |
| Complexity | 994.93097 |
Chemical Identifiers
| CAS Number | 15931-06-3 |
|---|---|
| SMILES | CCCCCC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100080 (CAS 15931-06-3), with molecular formula C27H33NO4S and molecular weight 467.21 g/mol. IUPAC: (E)-but-2-enedioic acid;(3E)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine.
Chemical Property Profile of RefChem:1100080
Property Insights of RefChem:1100080
The XLogP value of 5.9791 indicates that RefChem:1100080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100080. Following Lipinski's Rule of Five, RefChem:1100080 has 2 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:1100080?
The CAS number of RefChem:1100080 is 15931-06-3.
What is the molecular formula of RefChem:1100080?
The molecular formula of RefChem:1100080 is C27H33NO4S.
What is the molecular weight of RefChem:1100080?
The molecular weight of RefChem:1100080 is 467.21 g/mol.
Where can I buy RefChem:1100080?
You can request a quote for RefChem:1100080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.