BAS 00435422
TL;DR: BAS 00435422 (CAS 488122-93-6) is a chemical compound with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide
Also Known As: BAS 00435422, BRD-K85104615-001-01-8, 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide, 4-bromo-N-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl)benzamide
| Molecular Formula | C18H16BrN3OS2 |
|---|---|
| Molecular Weight | 432.99 g/mol |
| LogP | 4.77798 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.99182 |
| Heavy Atoms | 25 |
| Complexity | 852.4415 |
Chemical Identifiers
| CAS Number | 488122-93-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 00435422 (CAS 488122-93-6), with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol. IUPAC: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide.
Chemical Property Profile of BAS 00435422
Property Insights of BAS 00435422
The XLogP value of 4.77798 indicates that BAS 00435422 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435422. Following Lipinski's Rule of Five, BAS 00435422 has 2 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 00435422?
The CAS number of BAS 00435422 is 488122-93-6.
What is the molecular formula of BAS 00435422?
The molecular formula of BAS 00435422 is C18H16BrN3OS2.
What is the molecular weight of BAS 00435422?
The molecular weight of BAS 00435422 is 432.99 g/mol.
Where can I buy BAS 00435422?
You can request a quote for BAS 00435422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435422?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.