BAS 02058402
TL;DR: BAS 02058402 (CAS 65242-25-3) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-pyrrolidin-1-ylcyclohexen-1-yl)methylidene]propanedinitrile
Also Known As: BAS 02058402, {[2-(1-pyrrolidinyl)-1-cyclohexen-1-yl]methylene}malononitrile, Propanedinitrile, [[2-(1-pyrrolidinyl)-1-cyclohexen-1-yl]methylene]-, 2-[(2-pyrrolidin-1-ylcyclohexen-1-yl)methylidene]propanedinitrile, {[2-(pyrrolidin-1-yl)cyclohex-1-en-1-yl]methylidene}propanedinitrile
| Molecular Formula | C14H17N3 |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.14224 |
| Heavy Atoms | 17 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 65242-25-3 |
|---|---|
| SMILES | C1CCC(=C(C1)C=C(C#N)C#N)N2CCCC2 |
| InChIKey | IOUIJVOEWWITCG-UHFFFAOYSA-N |
Product Overview
BAS 02058402 (CAS 65242-25-3), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 2-[(2-pyrrolidin-1-ylcyclohexen-1-yl)methylidene]propanedinitrile.
Chemical Property Profile of BAS 02058402
Property Insights of BAS 02058402
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02058402. With a topological polar surface area (TPSA) of 50.8 Ų, BAS 02058402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02058402 has 0 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 BAS 02058402?
The CAS number of BAS 02058402 is 65242-25-3.
What is the molecular formula of BAS 02058402?
The molecular formula of BAS 02058402 is C14H17N3.
What is the molecular weight of BAS 02058402?
The molecular weight of BAS 02058402 is 227.14 g/mol.
Where can I buy BAS 02058402?
You can request a quote for BAS 02058402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02058402?
Yes, KEHONG BIO provides custom synthesis services for BAS 02058402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.