RefChem:1100074
TL;DR: RefChem:1100074 (CAS 15931-02-9) is a chemical compound with molecular formula C26H33NO4S and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;(3Z)-3-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: cis-2-tert-Butyl-9-(dimethylaminopropylidene)thioxanthene hydrogen succinate monohydrate, Thioxanthene-delta(sup 9,gamma)-propylamine, 2-tert-butyl-N,N-dimethyl-, succinate, hydrate, (Z)-, butanedioic acid; (3Z)-3-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine, RefChem:1100074
| Molecular Formula | C26H33NO4S |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 5.7679 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.21304 |
| Heavy Atoms | 32 |
| Complexity | 975.56165 |
Chemical Identifiers
| CAS Number | 15931-02-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C.C(CC(=O)O)C(=O)O |
Product Overview
RefChem:1100074 (CAS 15931-02-9), with molecular formula C26H33NO4S and molecular weight 455.21 g/mol. IUPAC: butanedioic acid;(3Z)-3-(2-tert-butylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1100074
Property Insights of RefChem:1100074
The XLogP value of 5.7679 indicates that RefChem:1100074 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:1100074. Following Lipinski's Rule of Five, RefChem:1100074 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:1100074?
The CAS number of RefChem:1100074 is 15931-02-9.
What is the molecular formula of RefChem:1100074?
The molecular formula of RefChem:1100074 is C26H33NO4S.
What is the molecular weight of RefChem:1100074?
The molecular weight of RefChem:1100074 is 455.21 g/mol.
Where can I buy RefChem:1100074?
You can request a quote for RefChem:1100074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.