BAS 03022063
TL;DR: BAS 03022063 (CAS 360573-22-4) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 03022063, A2307/0097286, isopropyl 2-(1-methyl-4-nitro-1H-pyrazole-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, isopropyl 2-[({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methylethyl 2-[(1-methyl-4-nitropyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.0861 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 914.8107 |
Chemical Identifiers
| CAS Number | 360573-22-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C |
Product Overview
BAS 03022063 (CAS 360573-22-4), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: propan-2-yl 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 03022063
Property Insights of BAS 03022063
The XLogP value of 3.0861 indicates that BAS 03022063 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 03022063. Following Lipinski's Rule of Five, BAS 03022063 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 03022063?
The CAS number of BAS 03022063 is 360573-22-4.
What is the molecular formula of BAS 03022063?
The molecular formula of BAS 03022063 is C17H20N4O5S.
What is the molecular weight of BAS 03022063?
The molecular weight of BAS 03022063 is 392.12 g/mol.
Where can I buy BAS 03022063?
You can request a quote for BAS 03022063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03022063?
Yes, KEHONG BIO provides custom synthesis services for BAS 03022063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.