BAS 01022739
TL;DR: BAS 01022739 (CAS 307340-49-4) is a chemical compound with molecular formula C29H25ClN4OS and molecular weight 512.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[[4-(diethylamino)phenyl]methylidene]-5-phenylpyrazol-3-one
Also Known As: BAS 01022739, AN-329/12683009, 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-(diethylamino)benzylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, A2197/0092456, (4Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-(diethylamino)benzylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C29H25ClN4OS |
|---|---|
| Molecular Weight | 512.14 g/mol |
| LogP | 7.1442 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.14374 |
| Heavy Atoms | 36 |
| Complexity | 1422.4027 |
Chemical Identifiers
| CAS Number | 307340-49-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
BAS 01022739 (CAS 307340-49-4), with molecular formula C29H25ClN4OS and molecular weight 512.14 g/mol. IUPAC: (4Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[[4-(diethylamino)phenyl]methylidene]-5-phenylpyrazol-3-one.
Chemical Property Profile of BAS 01022739
Property Insights of BAS 01022739
The XLogP value of 7.1442 indicates that BAS 01022739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, BAS 01022739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01022739 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 01022739?
The CAS number of BAS 01022739 is 307340-49-4.
What is the molecular formula of BAS 01022739?
The molecular formula of BAS 01022739 is C29H25ClN4OS.
What is the molecular weight of BAS 01022739?
The molecular weight of BAS 01022739 is 512.14 g/mol.
Where can I buy BAS 01022739?
You can request a quote for BAS 01022739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022739?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.