IFLab1_003432
TL;DR: IFLab1_003432 (CAS 227315-59-5) is a chemical compound with molecular formula C14H12Cl2N2OS and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl)phenol
Also Known As: IFLab1_003432, F0777-2192, 2,4-dichloro-6-[(1E)-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imino]methyl]phenol, 4,6-dichloro-2-[(E)-(1-thia-3-aza-4,5,6,7-tetrahydro-2-indenylimino)methyl]phenol
| Molecular Formula | C14H12Cl2N2OS |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 4.7849 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.00473 |
| Heavy Atoms | 20 |
| Complexity | 658.5537 |
Chemical Identifiers
| CAS Number | 227315-59-5 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)N=CC3=C(C(=CC(=C3)Cl)Cl)O |
Product Overview
IFLab1_003432 (CAS 227315-59-5), with molecular formula C14H12Cl2N2OS and molecular weight 326.00 g/mol. IUPAC: 2,4-dichloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl)phenol.
Chemical Property Profile of IFLab1_003432
Property Insights of IFLab1_003432
The XLogP value of 4.7849 indicates that IFLab1_003432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, IFLab1_003432 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003432 has 1 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 IFLab1_003432?
The CAS number of IFLab1_003432 is 227315-59-5.
What is the molecular formula of IFLab1_003432?
The molecular formula of IFLab1_003432 is C14H12Cl2N2OS.
What is the molecular weight of IFLab1_003432?
The molecular weight of IFLab1_003432 is 326.00 g/mol.
Where can I buy IFLab1_003432?
You can request a quote for IFLab1_003432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003432?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.