ChemDiv3_004129
TL;DR: ChemDiv3_004129 (CAS 330831-05-5) is a chemical compound with molecular formula C19H18N2O8 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv3_004129, IDI1_022039, BRD-A64459572-001-01-4, dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C19H18N2O8 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 0.2402 |
| Topological Polar Surface Area | 143.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10632 |
| Heavy Atoms | 29 |
| Complexity | 993.6782 |
Chemical Identifiers
| CAS Number | 330831-05-5 |
|---|---|
| SMILES | COC(=O)CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv3_004129 (CAS 330831-05-5), with molecular formula C19H18N2O8 and molecular weight 402.11 g/mol. IUPAC: dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv3_004129
Property Insights of ChemDiv3_004129
The XLogP value of 0.2402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004129. The TPSA of 143.25 Ų indicates high polarity, suggesting ChemDiv3_004129 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv3_004129 has 2 hydrogen bond donor(s) and 9 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_004129?
The CAS number of ChemDiv3_004129 is 330831-05-5.
What is the molecular formula of ChemDiv3_004129?
The molecular formula of ChemDiv3_004129 is C19H18N2O8.
What is the molecular weight of ChemDiv3_004129?
The molecular weight of ChemDiv3_004129 is 402.11 g/mol.
Where can I buy ChemDiv3_004129?
You can request a quote for ChemDiv3_004129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004129?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.