BAS 00924115
TL;DR: BAS 00924115 (CAS 355804-99-8) is a chemical compound with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00924115, methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H17ClN4O5S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 3.11872 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06082 |
| Heavy Atoms | 27 |
| Complexity | 935.87604 |
Chemical Identifiers
| CAS Number | 355804-99-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)[N+](=O)[O-])Cl |
Product Overview
BAS 00924115 (CAS 355804-99-8), with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol. IUPAC: methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00924115
Property Insights of BAS 00924115
The XLogP value of 3.11872 indicates that BAS 00924115 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 00924115. Following Lipinski's Rule of Five, BAS 00924115 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 00924115?
The CAS number of BAS 00924115 is 355804-99-8.
What is the molecular formula of BAS 00924115?
The molecular formula of BAS 00924115 is C16H17ClN4O5S.
What is the molecular weight of BAS 00924115?
The molecular weight of BAS 00924115 is 412.06 g/mol.
Where can I buy BAS 00924115?
You can request a quote for BAS 00924115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924115?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.