1-Isocyanatoadamantane
TL;DR: 1-Isocyanatoadamantane (CAS 902836-53-7) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatoadamantane
Also Known As: 1-Adamantyl isocyanate, 1-isocyanatoadamantane, 1-adamantylisocyanate, adamantanisocyanate, 1-isocyanato-adamantane
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.291 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 242.53065 |
Chemical Identifiers
| CAS Number | 902836-53-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N=C=O |
Product Overview
1-Isocyanatoadamantane (CAS 902836-53-7), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 1-isocyanatoadamantane.
Chemical Property Profile of 1-Isocyanatoadamantane
Property Insights of 1-Isocyanatoadamantane
The XLogP value of 2.291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanatoadamantane. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isocyanatoadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanatoadamantane has 0 hydrogen bond donor(s) and 2 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-Isocyanatoadamantane?
The CAS number of 1-Isocyanatoadamantane is 902836-53-7.
What is the molecular formula of 1-Isocyanatoadamantane?
The molecular formula of 1-Isocyanatoadamantane is C11H15NO.
What is the molecular weight of 1-Isocyanatoadamantane?
The molecular weight of 1-Isocyanatoadamantane is 177.12 g/mol.
Where can I buy 1-Isocyanatoadamantane?
You can request a quote for 1-Isocyanatoadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanatoadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanatoadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.