A0906/0042547
TL;DR: A0906/0042547 (CAS 5309-00-2) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-4,5-dimethylthiophene-3-carbonitrile
Also Known As: A0906/0042547, 2-({(E)-[4-(dimethylamino)-3-nitrophenyl]methylidene}amino)-4,5-dimethylthiophene-3-carbonitrile, 2-({(E)-1-[4-(dimethylamino)-3-nitrophenyl]methylidene}amino)-4,5-dimethyl-3-thienyl cyanide, 2-[(E)-{[4-(DIMETHYLAMINO)-3-NITROPHENYL]METHYLIDENE}AMINO]-4,5-DIMETHYLTHIOPHENE-3-CARBONITRILE
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.96142 |
| Topological Polar Surface Area | 82.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 831.3363 |
Chemical Identifiers
| CAS Number | 5309-00-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)/N=C/C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C |
Product Overview
A0906/0042547 (CAS 5309-00-2), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 2-[(E)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of A0906/0042547
Property Insights of A0906/0042547
The XLogP value of 3.96142 indicates that A0906/0042547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A0906/0042547. Following Lipinski's Rule of Five, A0906/0042547 has 0 hydrogen bond donor(s) and 6 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 A0906/0042547?
The CAS number of A0906/0042547 is 5309-00-2.
What is the molecular formula of A0906/0042547?
The molecular formula of A0906/0042547 is C16H16N4O2S.
What is the molecular weight of A0906/0042547?
The molecular weight of A0906/0042547 is 328.10 g/mol.
Where can I buy A0906/0042547?
You can request a quote for A0906/0042547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0906/0042547?
Yes, KEHONG BIO provides custom synthesis services for A0906/0042547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.