A1276/0058400
TL;DR: A1276/0058400 (CAS 311325-56-1) is a chemical compound with molecular formula C18H19BrN2S2 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(4-bromothiophen-2-yl)methylideneamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: A1276/0058400, 2-[(E)-(4-bromothiophen-2-yl)methylideneamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{[(4-bromo-2-thienyl)methylene]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(E)-[(4-BROMOTHIOPHEN-2-YL)METHYLIDENE]AMINO]-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-{[(E)-(4-bromothiophen-2-yl)methylidene]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C18H19BrN2S2 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 6.34538 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.0173 |
| Heavy Atoms | 23 |
| Complexity | 787.0292 |
Chemical Identifiers
| CAS Number | 311325-56-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)/N=C/C3=CC(=CS3)Br |
Product Overview
A1276/0058400 (CAS 311325-56-1), with molecular formula C18H19BrN2S2 and molecular weight 406.02 g/mol. IUPAC: 2-[(E)-(4-bromothiophen-2-yl)methylideneamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of A1276/0058400
Property Insights of A1276/0058400
The XLogP value of 6.34538 indicates that A1276/0058400 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.15 Ų, A1276/0058400 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1276/0058400 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1276/0058400?
The CAS number of A1276/0058400 is 311325-56-1.
What is the molecular formula of A1276/0058400?
The molecular formula of A1276/0058400 is C18H19BrN2S2.
What is the molecular weight of A1276/0058400?
The molecular weight of A1276/0058400 is 406.02 g/mol.
Where can I buy A1276/0058400?
You can request a quote for A1276/0058400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1276/0058400?
Yes, KEHONG BIO provides custom synthesis services for A1276/0058400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.