SP572
TL;DR: SP572 (CAS 332146-11-9) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: SP572, BAS 01186394, tetrahydro-1-benzothiophene-3-carbonitrile, 2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 332146-11-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=O |
| InChIKey | DHPZPLNTUVUGSR-UHFFFAOYSA-N |
Product Overview
SP572 (CAS 332146-11-9), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of SP572
Property Insights of SP572
The XLogP value of 3.5 indicates that SP572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SP572. Following Lipinski's Rule of Five, SP572 has 0 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 SP572?
The CAS number of SP572 is 332146-11-9.
What is the molecular formula of SP572?
The molecular formula of SP572 is C16H16N2OS.
What is the molecular weight of SP572?
The molecular weight of SP572 is 284.10 g/mol.
Where can I buy SP572?
You can request a quote for SP572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SP572?
Yes, KEHONG BIO provides custom synthesis services for SP572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.