BAS 01052000
TL;DR: BAS 01052000 (CAS 329072-87-9) is a chemical compound with molecular formula C30H25ClN2O2 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 01052000, BIM-0028992.P001, 4-[4-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-[4-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C30H25ClN2O2 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 6.80418 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.16046 |
| Heavy Atoms | 35 |
| Complexity | 1350.2203 |
Chemical Identifiers
| CAS Number | 329072-87-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N |
Product Overview
BAS 01052000 (CAS 329072-87-9), with molecular formula C30H25ClN2O2 and molecular weight 480.16 g/mol. IUPAC: 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 01052000
Property Insights of BAS 01052000
The XLogP value of 6.80418 indicates that BAS 01052000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01052000. Following Lipinski's Rule of Five, BAS 01052000 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01052000?
The CAS number of BAS 01052000 is 329072-87-9.
What is the molecular formula of BAS 01052000?
The molecular formula of BAS 01052000 is C30H25ClN2O2.
What is the molecular weight of BAS 01052000?
The molecular weight of BAS 01052000 is 480.16 g/mol.
Where can I buy BAS 01052000?
You can request a quote for BAS 01052000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052000?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.