ChemDiv2_004483
TL;DR: ChemDiv2_004483 (CAS 1005062-72-5) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: ChemDiv2_004483, IDI1_003198, BAS 06763363, methyl 2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, methyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene-6-carbox ylate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 1.2741 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 510.40637 |
Chemical Identifiers
| CAS Number | 1005062-72-5 |
|---|---|
| SMILES | COC(=O)C1C2C=CC3(C1C(=O)N(C3)C4CCCCC4)O2 |
Product Overview
ChemDiv2_004483 (CAS 1005062-72-5), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: methyl 3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of ChemDiv2_004483
Property Insights of ChemDiv2_004483
The XLogP value of 1.2741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004483. With a topological polar surface area (TPSA) of 55.84 Ų, ChemDiv2_004483 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004483 has 0 hydrogen bond donor(s) and 4 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 ChemDiv2_004483?
The CAS number of ChemDiv2_004483 is 1005062-72-5.
What is the molecular formula of ChemDiv2_004483?
The molecular formula of ChemDiv2_004483 is C16H21NO4.
What is the molecular weight of ChemDiv2_004483?
The molecular weight of ChemDiv2_004483 is 291.15 g/mol.
Where can I buy ChemDiv2_004483?
You can request a quote for ChemDiv2_004483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004483?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.