AB00670392-01
TL;DR: AB00670392-01 (CAS 851949-64-9) is a chemical compound with molecular formula C27H24FN3O7S and molecular weight 553.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)-4-oxo-5-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670392-01, F0641-0342, (E)-ethyl 3-(4-fluorophenyl)-4-oxo-5-(3-(3,4,5-trimethoxyphenyl)acrylamido)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamido]-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C27H24FN3O7S |
|---|---|
| Molecular Weight | 553.13 g/mol |
| LogP | 4.4407 |
| Topological Polar Surface Area | 117.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 553.1319 |
| Heavy Atoms | 39 |
| Complexity | 1602.1338 |
Chemical Identifiers
| CAS Number | 851949-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)F |
Product Overview
AB00670392-01 (CAS 851949-64-9), with molecular formula C27H24FN3O7S and molecular weight 553.13 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-4-oxo-5-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670392-01
Property Insights of AB00670392-01
The XLogP value of 4.4407 indicates that AB00670392-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670392-01. Following Lipinski's Rule of Five, AB00670392-01 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670392-01?
The CAS number of AB00670392-01 is 851949-64-9.
What is the molecular formula of AB00670392-01?
The molecular formula of AB00670392-01 is C27H24FN3O7S.
What is the molecular weight of AB00670392-01?
The molecular weight of AB00670392-01 is 553.13 g/mol.
Where can I buy AB00670392-01?
You can request a quote for AB00670392-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670392-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670392-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.