BAS 00311418
TL;DR: BAS 00311418 (CAS 296266-49-4) is a chemical compound with molecular formula C16H22N4O4S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(4-ethoxycarbonyl-5-methyl-1H-pyrazol-3-yl)methyldisulfanyl]methyl]-5-methyl-1H-pyrazole-4-carboxylate
Also Known As: BAS 00311418, diethyl 3,3'-(disulfanediyldimethanediyl)bis(5-methyl-1H-pyrazole-4-carboxylate), AH-262/34342014, ethyl 3-[({[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]methyl}disulfanyl)methyl]-5-methyl-1H-pyrazole-4-carboxylate, DIETHYL 3,3'-(DISULFANEDIYLBIS(METHYLENE))BIS(5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE)
| Molecular Formula | C16H22N4O4S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 3.18464 |
| Topological Polar Surface Area | 109.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.10825 |
| Heavy Atoms | 26 |
| Complexity | 708.13794 |
Chemical Identifiers
| CAS Number | 296266-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1CSSCC2=NNC(=C2C(=O)OCC)C)C |
Product Overview
BAS 00311418 (CAS 296266-49-4), with molecular formula C16H22N4O4S2 and molecular weight 398.11 g/mol. IUPAC: ethyl 3-[[(4-ethoxycarbonyl-5-methyl-1H-pyrazol-3-yl)methyldisulfanyl]methyl]-5-methyl-1H-pyrazole-4-carboxylate.
Chemical Property Profile of BAS 00311418
Property Insights of BAS 00311418
The XLogP value of 3.18464 indicates that BAS 00311418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00311418. Following Lipinski's Rule of Five, BAS 00311418 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 BAS 00311418?
The CAS number of BAS 00311418 is 296266-49-4.
What is the molecular formula of BAS 00311418?
The molecular formula of BAS 00311418 is C16H22N4O4S2.
What is the molecular weight of BAS 00311418?
The molecular weight of BAS 00311418 is 398.11 g/mol.
Where can I buy BAS 00311418?
You can request a quote for BAS 00311418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00311418?
Yes, KEHONG BIO provides custom synthesis services for BAS 00311418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.