BAS 01812713
TL;DR: BAS 01812713 (CAS 220615-29-2) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile
Also Known As: BAS 01812713, 4'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile, 4-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile, 4'-(3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy)-[1,1'-biphenyl]-4-carbonitrile, 4'-[3-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-hydroxy-propoxy]-biphenyl-4-carbonitrile
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 220615-29-2 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1)CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O)C |
| InChIKey | WFQWWHMRNUXVGT-UHFFFAOYSA-N |
Product Overview
BAS 01812713 (CAS 220615-29-2), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 4-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile.
Chemical Property Profile of BAS 01812713
Property Insights of BAS 01812713
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01812713. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01812713. Following Lipinski's Rule of Five, BAS 01812713 has 2 hydrogen bond donor(s) and 5 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 01812713?
The CAS number of BAS 01812713 is 220615-29-2.
What is the molecular formula of BAS 01812713?
The molecular formula of BAS 01812713 is C21H21N3O4.
What is the molecular weight of BAS 01812713?
The molecular weight of BAS 01812713 is 379.15 g/mol.
Where can I buy BAS 01812713?
You can request a quote for BAS 01812713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01812713?
Yes, KEHONG BIO provides custom synthesis services for BAS 01812713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.