BAS 00398106
TL;DR: BAS 00398106 (CAS 299406-53-4) is a chemical compound with molecular formula C15H17N5O7S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00398106, diethyl 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate, 2,4-diethyl 3-methyl-5-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]thiophene-2,4-dicarboxylate, DIETHYL 3-METHYL-5-{[(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETYL]AMINO}-2,4-THIOPHENEDICARBOXYLATE, diethyl 3-methyl-5-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C15H17N5O7S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 1.54832 |
| Topological Polar Surface Area | 155.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.08487 |
| Heavy Atoms | 28 |
| Complexity | 920.0216 |
Chemical Identifiers
| CAS Number | 299406-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
BAS 00398106 (CAS 299406-53-4), with molecular formula C15H17N5O7S and molecular weight 411.08 g/mol. IUPAC: diethyl 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00398106
Property Insights of BAS 00398106
The XLogP value of 1.54832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00398106. The TPSA of 155.55 Ų indicates high polarity, suggesting BAS 00398106 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00398106 has 1 hydrogen bond donor(s) and 10 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 00398106?
The CAS number of BAS 00398106 is 299406-53-4.
What is the molecular formula of BAS 00398106?
The molecular formula of BAS 00398106 is C15H17N5O7S.
What is the molecular weight of BAS 00398106?
The molecular weight of BAS 00398106 is 411.08 g/mol.
Where can I buy BAS 00398106?
You can request a quote for BAS 00398106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398106?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.