ChemDiv1_002150
TL;DR: ChemDiv1_002150 (CAS 313382-02-4) is a chemical compound with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6'-amino-5-chloro-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002150, BAS 01108294, allyl 2'-amino-5-chloro-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, prop-2-enyl 6'-amino-5-chloro-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, allyl 6-amino-5'-chloro-5-cyano-1',3'-dihydro-2-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole]-3-carboxylate
| Molecular Formula | C18H14ClN3O4 |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 2.25718 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.0673 |
| Heavy Atoms | 26 |
| Complexity | 957.67316 |
Chemical Identifiers
| CAS Number | 313382-02-4 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Cl)NC2=O)C(=C(O1)N)C#N)C(=O)OCC=C |
Product Overview
ChemDiv1_002150 (CAS 313382-02-4), with molecular formula C18H14ClN3O4 and molecular weight 371.07 g/mol. IUPAC: prop-2-enyl 6'-amino-5-chloro-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002150
Property Insights of ChemDiv1_002150
The XLogP value of 2.25718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002150. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002150. Following Lipinski's Rule of Five, ChemDiv1_002150 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_002150?
The CAS number of ChemDiv1_002150 is 313382-02-4.
What is the molecular formula of ChemDiv1_002150?
The molecular formula of ChemDiv1_002150 is C18H14ClN3O4.
What is the molecular weight of ChemDiv1_002150?
The molecular weight of ChemDiv1_002150 is 371.07 g/mol.
Where can I buy ChemDiv1_002150?
You can request a quote for ChemDiv1_002150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002150?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.