AB00670480-01
TL;DR: AB00670480-01 (CAS 851950-59-9) is a chemical compound with molecular formula C22H14Cl2N4O6S and molecular weight 532.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670480-01, ethyl 5-(2-chloro-5-nitrobenzamido)-3-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, F0641-0458, ethyl 5-(2-chloro-5-nitrobenzamido)-3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C22H14Cl2N4O6S |
|---|---|
| Molecular Weight | 532.00 g/mol |
| LogP | 5.0912 |
| Topological Polar Surface Area | 133.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.0011 |
| Heavy Atoms | 35 |
| Complexity | 1548.33 |
Chemical Identifiers
| CAS Number | 851950-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Cl |
Product Overview
AB00670480-01 (CAS 851950-59-9), with molecular formula C22H14Cl2N4O6S and molecular weight 532.00 g/mol. IUPAC: ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670480-01
Property Insights of AB00670480-01
The XLogP value of 5.0912 indicates that AB00670480-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670480-01. Following Lipinski's Rule of Five, AB00670480-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670480-01?
The CAS number of AB00670480-01 is 851950-59-9.
What is the molecular formula of AB00670480-01?
The molecular formula of AB00670480-01 is C22H14Cl2N4O6S.
What is the molecular weight of AB00670480-01?
The molecular weight of AB00670480-01 is 532.00 g/mol.
Where can I buy AB00670480-01?
You can request a quote for AB00670480-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670480-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670480-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.