BAS 00529170
TL;DR: BAS 00529170 (CAS 239450-29-4) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]propanedinitrile
Also Known As: BAS 00529170, AB01315899-02, (Z)-2-(2-(2,2-dimethyl-6-phenyl-4H-1,3-dioxin-4-ylidene)ethylidene)malononitrile, [(2Z)-2-(2,2-dimethyl-6-phenyl-4H-1,3-dioxin-4-ylidene)ethylidene]propanedinitrile, [2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]methane-1,1-dicarbon itrile
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.66786 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 682.5459 |
Chemical Identifiers
| CAS Number | 239450-29-4 |
|---|---|
| SMILES | CC1(OC(=C/C(=C/C=C(C#N)C#N)/O1)C2=CC=CC=C2)C |
Product Overview
BAS 00529170 (CAS 239450-29-4), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 2-[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]propanedinitrile.
Chemical Property Profile of BAS 00529170
Property Insights of BAS 00529170
The XLogP value of 3.66786 indicates that BAS 00529170 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00529170. Following Lipinski's Rule of Five, BAS 00529170 has 0 hydrogen bond donor(s) and 4 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 00529170?
The CAS number of BAS 00529170 is 239450-29-4.
What is the molecular formula of BAS 00529170?
The molecular formula of BAS 00529170 is C17H14N2O2.
What is the molecular weight of BAS 00529170?
The molecular weight of BAS 00529170 is 278.11 g/mol.
Where can I buy BAS 00529170?
You can request a quote for BAS 00529170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00529170?
Yes, KEHONG BIO provides custom synthesis services for BAS 00529170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.