C16H15N3S
TL;DR: C16H15N3S (CAS 312267-38-2) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: A1695/0072290, (E)-6-methyl-2-((pyridin-3-ylmethylene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 6-METHYL-2-[(E)-[(PYRIDIN-3-YL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 6-methyl-2-{[(E)-pyridin-3-ylmethylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.89018 |
| Topological Polar Surface Area | 49.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 679.7378 |
Chemical Identifiers
| CAS Number | 312267-38-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)/N=C/C3=CN=CC=C3 |
Product Overview
C16H15N3S (CAS 312267-38-2), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 6-methyl-2-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of C16H15N3S
Property Insights of C16H15N3S
The XLogP value of 3.89018 indicates that C16H15N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.04 Ų, C16H15N3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H15N3S has 0 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 C16H15N3S?
The CAS number of C16H15N3S is 312267-38-2.
What is the molecular formula of C16H15N3S?
The molecular formula of C16H15N3S is C16H15N3S.
What is the molecular weight of C16H15N3S?
The molecular weight of C16H15N3S is 281.10 g/mol.
Where can I buy C16H15N3S?
You can request a quote for C16H15N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H15N3S?
Yes, KEHONG BIO provides custom synthesis services for C16H15N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.