BAS 00520749
TL;DR: BAS 00520749 (CAS 309936-06-9) is a chemical compound with molecular formula C21H16N2O6S2 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate
Also Known As: BAS 00520749, BIM-0000327.P001, 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate, [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate, (E)-4-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate
| Molecular Formula | C21H16N2O6S2 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 4.2098 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.04498 |
| Heavy Atoms | 31 |
| Complexity | 1111.353 |
Chemical Identifiers
| CAS Number | 309936-06-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00520749 (CAS 309936-06-9), with molecular formula C21H16N2O6S2 and molecular weight 456.04 g/mol. IUPAC: [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate.
Chemical Property Profile of BAS 00520749
Property Insights of BAS 00520749
The XLogP value of 4.2098 indicates that BAS 00520749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00520749. Following Lipinski's Rule of Five, BAS 00520749 has 0 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 BAS 00520749?
The CAS number of BAS 00520749 is 309936-06-9.
What is the molecular formula of BAS 00520749?
The molecular formula of BAS 00520749 is C21H16N2O6S2.
What is the molecular weight of BAS 00520749?
The molecular weight of BAS 00520749 is 456.04 g/mol.
Where can I buy BAS 00520749?
You can request a quote for BAS 00520749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00520749?
Yes, KEHONG BIO provides custom synthesis services for BAS 00520749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.