ChemDiv3_004043
TL;DR: ChemDiv3_004043 (CAS 461432-08-6) is a chemical compound with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetate
Also Known As: ChemDiv3_004043, IDI1_021953, BRD-A20622752-001-01-2, ethyl (6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl)acetate, (S)-ethyl 2-(6'-amino-5'-cyano-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-1-yl)acetate
| Molecular Formula | C19H17N5O4 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 1.0002 |
| Topological Polar Surface Area | 134.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.12805 |
| Heavy Atoms | 28 |
| Complexity | 1080.2334 |
Chemical Identifiers
| CAS Number | 461432-08-6 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=NNC(=C34)C)N)C#N |
Product Overview
ChemDiv3_004043 (CAS 461432-08-6), with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol. IUPAC: ethyl 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetate.
Chemical Property Profile of ChemDiv3_004043
Property Insights of ChemDiv3_004043
The XLogP value of 1.0002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004043. The TPSA of 134.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004043. Following Lipinski's Rule of Five, ChemDiv3_004043 has 2 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 ChemDiv3_004043?
The CAS number of ChemDiv3_004043 is 461432-08-6.
What is the molecular formula of ChemDiv3_004043?
The molecular formula of ChemDiv3_004043 is C19H17N5O4.
What is the molecular weight of ChemDiv3_004043?
The molecular weight of ChemDiv3_004043 is 379.13 g/mol.
Where can I buy ChemDiv3_004043?
You can request a quote for ChemDiv3_004043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004043?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.