BAS 00924153
TL;DR: BAS 00924153 (CAS 355805-30-0) is a chemical compound with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00924153, methyl 2-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H22N4O5S |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 3.01974 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1311 |
| Heavy Atoms | 28 |
| Complexity | 961.8227 |
Chemical Identifiers
| CAS Number | 355805-30-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
BAS 00924153 (CAS 355805-30-0), with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol. IUPAC: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00924153
Property Insights of BAS 00924153
The XLogP value of 3.01974 indicates that BAS 00924153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00924153. Following Lipinski's Rule of Five, BAS 00924153 has 1 hydrogen bond donor(s) and 7 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 00924153?
The CAS number of BAS 00924153 is 355805-30-0.
What is the molecular formula of BAS 00924153?
The molecular formula of BAS 00924153 is C18H22N4O5S.
What is the molecular weight of BAS 00924153?
The molecular weight of BAS 00924153 is 406.13 g/mol.
Where can I buy BAS 00924153?
You can request a quote for BAS 00924153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924153?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.