A3807/0161606
TL;DR: A3807/0161606 (CAS 727370-97-0) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: A3807/0161606, methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate, (Z)-methyl 2-(1-(benzo[d]thiazol-2-yl)-5-oxo-4-(1-((pyridin-3-ylmethyl)amino)ethylidene)-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl ((4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl)acetate, METHYL 2-(1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-4-{(Z)-1-[(3-PYRIDYLMETHYL)AMINO]ETHYLIDENE}-1,5-DIHYDRO-4H-PYRAZOL-3-YL)ACETATE
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 2.895 |
| Topological Polar Surface Area | 102.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1253.9705 |
Chemical Identifiers
| CAS Number | 727370-97-0 |
|---|---|
| SMILES | CC(=NCC1=CN=CC=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
A3807/0161606 (CAS 727370-97-0), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A3807/0161606
Property Insights of A3807/0161606
The XLogP value of 2.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3807/0161606. The TPSA of 102.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3807/0161606. Following Lipinski's Rule of Five, A3807/0161606 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3807/0161606?
The CAS number of A3807/0161606 is 727370-97-0.
What is the molecular formula of A3807/0161606?
The molecular formula of A3807/0161606 is C21H19N5O3S.
What is the molecular weight of A3807/0161606?
The molecular weight of A3807/0161606 is 421.12 g/mol.
Where can I buy A3807/0161606?
You can request a quote for A3807/0161606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3807/0161606?
Yes, KEHONG BIO provides custom synthesis services for A3807/0161606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.