C11H13BrN2OS
TL;DR: C11H13BrN2OS (CAS 1005057-59-9) is a chemical compound with molecular formula C11H13BrN2OS and molecular weight 299.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)propanamide
Also Known As: 2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)propanamide
| Molecular Formula | C11H13BrN2OS |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 2.53668 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.9932 |
| Heavy Atoms | 16 |
| Complexity | 385.93604 |
Chemical Identifiers
| CAS Number | 1005057-59-9 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C2CCCC2S1)C#N)Br |
Product Overview
C11H13BrN2OS (CAS 1005057-59-9), with molecular formula C11H13BrN2OS and molecular weight 299.99 g/mol. IUPAC: 2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)propanamide.
Chemical Property Profile of C11H13BrN2OS
Property Insights of C11H13BrN2OS
The XLogP value of 2.53668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C11H13BrN2OS. With a topological polar surface area (TPSA) of 52.89 Ų, C11H13BrN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C11H13BrN2OS has 1 hydrogen bond donor(s) and 3 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 C11H13BrN2OS?
The CAS number of C11H13BrN2OS is 1005057-59-9.
What is the molecular formula of C11H13BrN2OS?
The molecular formula of C11H13BrN2OS is C11H13BrN2OS.
What is the molecular weight of C11H13BrN2OS?
The molecular weight of C11H13BrN2OS is 299.99 g/mol.
Where can I buy C11H13BrN2OS?
You can request a quote for C11H13BrN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H13BrN2OS?
Yes, KEHONG BIO provides custom synthesis services for C11H13BrN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.