BAS 00687747
TL;DR: BAS 00687747 (CAS 302575-66-2) is a chemical compound with molecular formula C15H16N2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00687747, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 302575-66-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C#N)C |
| InChIKey | QOWIPZWEXCPCKF-UHFFFAOYSA-N |
Product Overview
BAS 00687747 (CAS 302575-66-2), with molecular formula C15H16N2S and molecular weight 256.10 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00687747
Property Insights of BAS 00687747
The XLogP value of 4.1 indicates that BAS 00687747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, BAS 00687747 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00687747 has 0 hydrogen bond donor(s) and 2 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 00687747?
The CAS number of BAS 00687747 is 302575-66-2.
What is the molecular formula of BAS 00687747?
The molecular formula of BAS 00687747 is C15H16N2S.
What is the molecular weight of BAS 00687747?
The molecular weight of BAS 00687747 is 256.10 g/mol.
Where can I buy BAS 00687747?
You can request a quote for BAS 00687747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00687747?
Yes, KEHONG BIO provides custom synthesis services for BAS 00687747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.