1,2-Cyclohexylimidocarbonate
TL;DR: 1,2-Cyclohexylimidocarbonate (CAS 76207-57-3) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-imine
Also Known As: 1,2-Cyclohexylimidocarbonate, 1,3-Benzodioxol-2-imine, hexahydro-, trans-, 1,3-Benzodioxol-2-imine,hexahydro-,trans, (3aR,7aR)-Hexahydro-2H-1,3-benzodioxol-2-imine, (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-imine
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 76207-57-3 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)OC(=N)O2 |
| InChIKey | WCLTUNKJFLXVFM-PHDIDXHHSA-N |
Product Overview
1,2-Cyclohexylimidocarbonate (CAS 76207-57-3), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-imine.
Chemical Property Profile of 1,2-Cyclohexylimidocarbonate
Property Insights of 1,2-Cyclohexylimidocarbonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cyclohexylimidocarbonate. With a topological polar surface area (TPSA) of 42.3 Ų, 1,2-Cyclohexylimidocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclohexylimidocarbonate has 1 hydrogen bond donor(s) and 3 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 1,2-Cyclohexylimidocarbonate?
The CAS number of 1,2-Cyclohexylimidocarbonate is 76207-57-3.
What is the molecular formula of 1,2-Cyclohexylimidocarbonate?
The molecular formula of 1,2-Cyclohexylimidocarbonate is C7H11NO2.
What is the molecular weight of 1,2-Cyclohexylimidocarbonate?
The molecular weight of 1,2-Cyclohexylimidocarbonate is 141.08 g/mol.
Where can I buy 1,2-Cyclohexylimidocarbonate?
You can request a quote for 1,2-Cyclohexylimidocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexylimidocarbonate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexylimidocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.