BAS 00714635
TL;DR: BAS 00714635 (CAS 330472-58-7) is a chemical compound with molecular formula C16H19NO3S2 and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00714635, AB00094558-01, (5E)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[4-(isopentyloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one, 5-[3-Methoxy-4-(3-methyl-butoxy)-benzylidene]-2-thioxo-thiazolidin-4-one
| Molecular Formula | C16H19NO3S2 |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.6089 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.08063 |
| Heavy Atoms | 22 |
| Complexity | 611.4085 |
Chemical Identifiers
| CAS Number | 330472-58-7 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)S2)OC |
Product Overview
BAS 00714635 (CAS 330472-58-7), with molecular formula C16H19NO3S2 and molecular weight 337.08 g/mol. IUPAC: (5E)-5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00714635
Property Insights of BAS 00714635
The XLogP value of 3.6089 indicates that BAS 00714635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, BAS 00714635 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00714635 has 1 hydrogen bond donor(s) and 5 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 BAS 00714635?
The CAS number of BAS 00714635 is 330472-58-7.
What is the molecular formula of BAS 00714635?
The molecular formula of BAS 00714635 is C16H19NO3S2.
What is the molecular weight of BAS 00714635?
The molecular weight of BAS 00714635 is 337.08 g/mol.
Where can I buy BAS 00714635?
You can request a quote for BAS 00714635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00714635?
Yes, KEHONG BIO provides custom synthesis services for BAS 00714635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.