RefChem:70715
TL;DR: RefChem:70715 (CAS 63149-26-8) is a chemical compound with molecular formula C19H29N3O4S3 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-pyridinyl]butane-1-sulfonic acid;piperidine
Also Known As: 1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine (1:1), 1(4h)-pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine(1:1), Sodium spiro(2,5-dimethyl-3-ethylcyclopentane barbiturate), 4-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4H-pyridine-1-butanesulphonic acid, compound with piperidine (1:1), Sodium 1,4-dimethyl-2-ethyl-7,9-diazaspiro(4.5)decane-6,8,10-trione
| Molecular Formula | C19H29N3O4S3 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.89 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.13202 |
| Heavy Atoms | 29 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 63149-26-8 |
|---|---|
| SMILES | CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)O)SC1=S.C1CCNCC1 |
| InChIKey | WMVWHWJVBQJHAN-UHFFFAOYSA-N |
Product Overview
RefChem:70715 (CAS 63149-26-8), with molecular formula C19H29N3O4S3 and molecular weight 459.13 g/mol. IUPAC: 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-pyridinyl]butane-1-sulfonic acid;piperidine.
Chemical Property Profile of RefChem:70715
Property Insights of RefChem:70715
The XLogP value of 2.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:70715. The TPSA of 156.0 Ų indicates high polarity, suggesting RefChem:70715 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:70715 has 2 hydrogen bond donor(s) and 8 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:70715?
The CAS number of RefChem:70715 is 63149-26-8.
What is the molecular formula of RefChem:70715?
The molecular formula of RefChem:70715 is C19H29N3O4S3.
What is the molecular weight of RefChem:70715?
The molecular weight of RefChem:70715 is 459.13 g/mol.
Where can I buy RefChem:70715?
You can request a quote for RefChem:70715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:70715?
Yes, KEHONG BIO provides custom synthesis services for RefChem:70715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.