BAS 00288825
TL;DR: BAS 00288825 (CAS 306293-62-9) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: BAS 00288825, AB01310128-01, 3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(2-methylpropyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(2-methylpropylthio)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbo nitrile
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 306293-62-9 |
|---|---|
| SMILES | CC(C)CSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N |
| InChIKey | QSKAUCNYRLUPRN-UHFFFAOYSA-N |
Product Overview
BAS 00288825 (CAS 306293-62-9), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: 3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of BAS 00288825
Property Insights of BAS 00288825
The XLogP value of 4.2 indicates that BAS 00288825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288825. Following Lipinski's Rule of Five, BAS 00288825 has 0 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 00288825?
The CAS number of BAS 00288825 is 306293-62-9.
What is the molecular formula of BAS 00288825?
The molecular formula of BAS 00288825 is C18H25N3OS.
What is the molecular weight of BAS 00288825?
The molecular weight of BAS 00288825 is 331.17 g/mol.
Where can I buy BAS 00288825?
You can request a quote for BAS 00288825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288825?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.