Diisopropylcyanamide
TL;DR: Diisopropylcyanamide (CAS 3085-76-5) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
di(propan-2-yl)cyanamide
Also Known As: Diisopropylcyanamide, di(propan-2-yl)cyanamide, Diisopropylcyanimide, Cyanamide, diisopropyl-, cyanobis(propan-2-yl)amine
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 3085-76-5 |
|---|---|
| SMILES | CC(C)N(C#N)C(C)C |
| InChIKey | DGCUISYKMONQDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropylcyanamide (CAS 3085-76-5), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: di(propan-2-yl)cyanamide.
Chemical Property Profile of Diisopropylcyanamide
Property Insights of Diisopropylcyanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropylcyanamide. With a topological polar surface area (TPSA) of 27.0 Ų, Diisopropylcyanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropylcyanamide 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 Diisopropylcyanamide?
The CAS number of Diisopropylcyanamide is 3085-76-5.
What is the molecular formula of Diisopropylcyanamide?
The molecular formula of Diisopropylcyanamide is C7H14N2.
What is the molecular weight of Diisopropylcyanamide?
The molecular weight of Diisopropylcyanamide is 126.12 g/mol.
Where can I buy Diisopropylcyanamide?
You can request a quote for Diisopropylcyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropylcyanamide?
Yes, KEHONG BIO provides custom synthesis services for Diisopropylcyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.