3-Diazobornane-2-one
TL;DR: 3-Diazobornane-2-one (CAS 70614-31-2) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S)-3-diazo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: 3-Dabo, 3-Diazobornane-2-one, (1R,4S)-3-Diazobornane-2-one, J2.265.097A, Bicyclo(2.2.1)heptan-2-one, 3-diazo-1,7,7-trimethyl, (1R)-
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 19.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 70614-31-2 |
|---|---|
| SMILES | C[C@@]12CC[C@@H](C1(C)C)C(=[N+]=[N-])C2=O |
| InChIKey | SXDZTOIWUJMSIH-LDWIPMOCSA-N |
Product Overview
3-Diazobornane-2-one (CAS 70614-31-2), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: (1R,4S)-3-diazo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of 3-Diazobornane-2-one
Property Insights of 3-Diazobornane-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Diazobornane-2-one. With a topological polar surface area (TPSA) of 19.1 Ų, 3-Diazobornane-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diazobornane-2-one 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 3-Diazobornane-2-one?
The CAS number of 3-Diazobornane-2-one is 70614-31-2.
What is the molecular formula of 3-Diazobornane-2-one?
The molecular formula of 3-Diazobornane-2-one is C10H14N2O.
What is the molecular weight of 3-Diazobornane-2-one?
The molecular weight of 3-Diazobornane-2-one is 178.11 g/mol.
Where can I buy 3-Diazobornane-2-one?
You can request a quote for 3-Diazobornane-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diazobornane-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Diazobornane-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.