A0493/0022875
TL;DR: A0493/0022875 (CAS 324065-90-9) is a chemical compound with molecular formula C16H13BrN2S and molecular weight 344.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: A0493/0022875, 2-[(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(E)-[(4-BROMOPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
| Molecular Formula | C16H13BrN2S |
|---|---|
| Molecular Weight | 344.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.9983 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 324065-90-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)Br)C#N |
| InChIKey | BCISGWNGZNMZBV-UHFFFAOYSA-N |
Product Overview
A0493/0022875 (CAS 324065-90-9), with molecular formula C16H13BrN2S and molecular weight 344.00 g/mol. IUPAC: 2-[(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of A0493/0022875
Property Insights of A0493/0022875
The XLogP value of 4.9 indicates that A0493/0022875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A0493/0022875. Following Lipinski's Rule of Five, A0493/0022875 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 A0493/0022875?
The CAS number of A0493/0022875 is 324065-90-9.
What is the molecular formula of A0493/0022875?
The molecular formula of A0493/0022875 is C16H13BrN2S.
What is the molecular weight of A0493/0022875?
The molecular weight of A0493/0022875 is 344.00 g/mol.
Where can I buy A0493/0022875?
You can request a quote for A0493/0022875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0493/0022875?
Yes, KEHONG BIO provides custom synthesis services for A0493/0022875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.