BAS 00918465
TL;DR: BAS 00918465 (CAS 327103-58-2) is a chemical compound with molecular formula C29H25N3O2 and molecular weight 447.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]prop-2-enoate
Also Known As: BAS 00918465, (E)-ethyl 2-cyano-3-(4-(5-phenyl-3-((E)-styryl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)acrylate, ethyl (2E)-2-cyano-3-(4-{5-phenyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-1-yl}phenyl)prop-2-enoate, ethyl (E)-2-cyano-3-[4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]prop-2-enoate
| Molecular Formula | C29H25N3O2 |
|---|---|
| Molecular Weight | 447.19 g/mol |
| LogP | 6.17748 |
| Topological Polar Surface Area | 65.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.19467 |
| Heavy Atoms | 34 |
| Complexity | 1254.2377 |
Chemical Identifiers
| CAS Number | 327103-58-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)N2C(CC(=N2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4)/C#N |
Product Overview
BAS 00918465 (CAS 327103-58-2), with molecular formula C29H25N3O2 and molecular weight 447.19 g/mol. IUPAC: ethyl (E)-2-cyano-3-[4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]prop-2-enoate.
Chemical Property Profile of BAS 00918465
Property Insights of BAS 00918465
The XLogP value of 6.17748 indicates that BAS 00918465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00918465. Following Lipinski's Rule of Five, BAS 00918465 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00918465?
The CAS number of BAS 00918465 is 327103-58-2.
What is the molecular formula of BAS 00918465?
The molecular formula of BAS 00918465 is C29H25N3O2.
What is the molecular weight of BAS 00918465?
The molecular weight of BAS 00918465 is 447.19 g/mol.
Where can I buy BAS 00918465?
You can request a quote for BAS 00918465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00918465?
Yes, KEHONG BIO provides custom synthesis services for BAS 00918465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.