ChemDiv1_021794
TL;DR: ChemDiv1_021794 (CAS 312622-72-3) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Also Known As: ChemDiv1_021794, BAS 02169970, BIM-0041961.P001, 2-isopropoxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate, 2-propan-2-yloxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.6045 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 770.5847 |
Chemical Identifiers
| CAS Number | 312622-72-3 |
|---|---|
| SMILES | CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCCOC(C)C |
Product Overview
ChemDiv1_021794 (CAS 312622-72-3), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: 2-propan-2-yloxyethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate.
Chemical Property Profile of ChemDiv1_021794
Property Insights of ChemDiv1_021794
The XLogP value of 0.6045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021794. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021794. Following Lipinski's Rule of Five, ChemDiv1_021794 has 3 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 ChemDiv1_021794?
The CAS number of ChemDiv1_021794 is 312622-72-3.
What is the molecular formula of ChemDiv1_021794?
The molecular formula of ChemDiv1_021794 is C18H21NO6.
What is the molecular weight of ChemDiv1_021794?
The molecular weight of ChemDiv1_021794 is 347.14 g/mol.
Where can I buy ChemDiv1_021794?
You can request a quote for ChemDiv1_021794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021794?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.