AB00670147-01
TL;DR: AB00670147-01 (CAS 851947-06-3) is a chemical compound with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670147-01, F0641-0039, ethyl 5-(4-butoxybenzamido)-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(4-butoxybenzamido)-4-oxo-3-phenyl-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C26H25N3O5S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 5.0551 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.1515 |
| Heavy Atoms | 35 |
| Complexity | 1394.5322 |
Chemical Identifiers
| CAS Number | 851947-06-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC |
Product Overview
AB00670147-01 (CAS 851947-06-3), with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol. IUPAC: ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670147-01
Property Insights of AB00670147-01
The XLogP value of 5.0551 indicates that AB00670147-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670147-01. Following Lipinski's Rule of Five, AB00670147-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670147-01?
The CAS number of AB00670147-01 is 851947-06-3.
What is the molecular formula of AB00670147-01?
The molecular formula of AB00670147-01 is C26H25N3O5S.
What is the molecular weight of AB00670147-01?
The molecular weight of AB00670147-01 is 491.15 g/mol.
Where can I buy AB00670147-01?
You can request a quote for AB00670147-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670147-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670147-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.