BAS 00227330
TL;DR: BAS 00227330 (CAS 301320-73-0) is a chemical compound with molecular formula C16H12Cl2N4O2S2 and molecular weight 425.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-thiophen-2-ylmethylideneamino]carbamimidothioate
Also Known As: BAS 00227330, (E)-1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 2-(thiophen-2-ylmethylene)hydrazinecarbimidothioate, 1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl (2E)-2-(thiophen-2-ylmethylidene)hydrazinecarbimidothioate, 3-{[((1E)-2-(2-thienyl)-1-azavinyl)amino]iminomethylthio}-1-(2,5-dichloropheny l)azolidine-2,5-dione
| Molecular Formula | C16H12Cl2N4O2S2 |
|---|---|
| Molecular Weight | 425.98 g/mol |
| LogP | 3.7688 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.97787 |
| Heavy Atoms | 26 |
| Complexity | 899.6596 |
Chemical Identifiers
| CAS Number | 301320-73-0 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)Cl)Cl)S/C(=N/N=C/C3=CC=CS3)/N |
Product Overview
BAS 00227330 (CAS 301320-73-0), with molecular formula C16H12Cl2N4O2S2 and molecular weight 425.98 g/mol. IUPAC: [1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-thiophen-2-ylmethylideneamino]carbamimidothioate.
Chemical Property Profile of BAS 00227330
Property Insights of BAS 00227330
The XLogP value of 3.7688 indicates that BAS 00227330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00227330. Following Lipinski's Rule of Five, BAS 00227330 has 1 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 00227330?
The CAS number of BAS 00227330 is 301320-73-0.
What is the molecular formula of BAS 00227330?
The molecular formula of BAS 00227330 is C16H12Cl2N4O2S2.
What is the molecular weight of BAS 00227330?
The molecular weight of BAS 00227330 is 425.98 g/mol.
Where can I buy BAS 00227330?
You can request a quote for BAS 00227330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00227330?
Yes, KEHONG BIO provides custom synthesis services for BAS 00227330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.