BAS 00513629
TL;DR: BAS 00513629 (CAS 300697-06-7) is a chemical compound with molecular formula C18H15I2N3O2 and molecular weight 558.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00513629, UPCMLD0ENAT0500-2902:001, 4-[(2-hydroxy-3,5-diiodobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(Z)-[(2-HYDROXY-3,5-DIIODOPHENYL)METHYLIDENE]AMINO]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE
| Molecular Formula | C18H15I2N3O2 |
|---|---|
| Molecular Weight | 558.93 g/mol |
| LogP | 4.14982 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 558.92535 |
| Heavy Atoms | 25 |
| Complexity | 1021.0358 |
Chemical Identifiers
| CAS Number | 300697-06-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=CC(=C3)I)I)O |
Product Overview
BAS 00513629 (CAS 300697-06-7), with molecular formula C18H15I2N3O2 and molecular weight 558.93 g/mol. IUPAC: 4-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00513629
Property Insights of BAS 00513629
The XLogP value of 4.14982 indicates that BAS 00513629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.52 Ų, BAS 00513629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00513629 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00513629?
The CAS number of BAS 00513629 is 300697-06-7.
What is the molecular formula of BAS 00513629?
The molecular formula of BAS 00513629 is C18H15I2N3O2.
What is the molecular weight of BAS 00513629?
The molecular weight of BAS 00513629 is 558.93 g/mol.
Where can I buy BAS 00513629?
You can request a quote for BAS 00513629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513629?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.