BAS 00615693
TL;DR: BAS 00615693 (CAS 331839-36-2) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate
Also Known As: BAS 00615693, ethyl (E)-3-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate, ethyl (2E)-3-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate, ethyl (2E)-3-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)(2-pyrazolinyl)]but-2-enoat e, (E)-ethyl 3-(5-(4-methoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)but-2-enoate
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 4.2214 |
| Topological Polar Surface Area | 94.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 998.0875 |
Chemical Identifiers
| CAS Number | 331839-36-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC |
Product Overview
BAS 00615693 (CAS 331839-36-2), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: ethyl (E)-3-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate.
Chemical Property Profile of BAS 00615693
Property Insights of BAS 00615693
The XLogP value of 4.2214 indicates that BAS 00615693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00615693. Following Lipinski's Rule of Five, BAS 00615693 has 0 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 00615693?
The CAS number of BAS 00615693 is 331839-36-2.
What is the molecular formula of BAS 00615693?
The molecular formula of BAS 00615693 is C22H23N3O5.
What is the molecular weight of BAS 00615693?
The molecular weight of BAS 00615693 is 409.16 g/mol.
Where can I buy BAS 00615693?
You can request a quote for BAS 00615693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00615693?
Yes, KEHONG BIO provides custom synthesis services for BAS 00615693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.