BAS 00502850
TL;DR: BAS 00502850 (CAS 307527-29-3) is a chemical compound with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00502850, (5E)-5-[(4-methoxyphenyl)methylidene]-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-5-(4-methoxybenzylidene)-3-(4-(4-methylpiperazin-1-yl)-4-oxobutyl)-2-thioxothiazolidin-4-one, 5-[(4-methoxyphenyl)methylene]-3-[4-(4-methylpiperazinyl)-4-oxobutyl]-2-thioxo -1,3-thiazolidin-4-one, REGID_for_CID_1560278
| Molecular Formula | C20H25N3O3S2 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.4506 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13373 |
| Heavy Atoms | 28 |
| Complexity | 771.4055 |
Chemical Identifiers
| CAS Number | 307527-29-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CCCN2C(=O)/C(=C\C3=CC=C(C=C3)OC)/SC2=S |
Product Overview
BAS 00502850 (CAS 307527-29-3), with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol. IUPAC: (5E)-5-[(4-methoxyphenyl)methylidene]-3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00502850
Property Insights of BAS 00502850
The XLogP value of 2.4506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00502850. With a topological polar surface area (TPSA) of 53.09 Ų, BAS 00502850 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00502850 has 0 hydrogen bond donor(s) and 6 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 00502850?
The CAS number of BAS 00502850 is 307527-29-3.
What is the molecular formula of BAS 00502850?
The molecular formula of BAS 00502850 is C20H25N3O3S2.
What is the molecular weight of BAS 00502850?
The molecular weight of BAS 00502850 is 419.13 g/mol.
Where can I buy BAS 00502850?
You can request a quote for BAS 00502850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00502850?
Yes, KEHONG BIO provides custom synthesis services for BAS 00502850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.