ChemDiv1_019862
TL;DR: ChemDiv1_019862 (CAS 301319-83-5) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Also Known As: ChemDiv1_019862, BIM-0026102.P001, propyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate, propyl 3a,8b-dihydroxy-2-methyl-4-oxoindano[2,1-d]2-pyrroline-3-carboxylate, propyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 0.5895 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 710.2427 |
Chemical Identifiers
| CAS Number | 301319-83-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C |
Product Overview
ChemDiv1_019862 (CAS 301319-83-5), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: propyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate.
Chemical Property Profile of ChemDiv1_019862
Property Insights of ChemDiv1_019862
The XLogP value of 0.5895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019862. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019862. Following Lipinski's Rule of Five, ChemDiv1_019862 has 3 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_019862?
The CAS number of ChemDiv1_019862 is 301319-83-5.
What is the molecular formula of ChemDiv1_019862?
The molecular formula of ChemDiv1_019862 is C16H17NO5.
What is the molecular weight of ChemDiv1_019862?
The molecular weight of ChemDiv1_019862 is 303.11 g/mol.
Where can I buy ChemDiv1_019862?
You can request a quote for ChemDiv1_019862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019862?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.