A2105/0088429
TL;DR: A2105/0088429 (CAS 309282-85-7) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A2105/0088429, 2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 4.07008 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1063.4668 |
Chemical Identifiers
| CAS Number | 309282-85-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CCC3)OC |
Product Overview
A2105/0088429 (CAS 309282-85-7), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: 2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A2105/0088429
Property Insights of A2105/0088429
The XLogP value of 4.07008 indicates that A2105/0088429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A2105/0088429. Following Lipinski's Rule of Five, A2105/0088429 has 1 hydrogen bond donor(s) and 7 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 A2105/0088429?
The CAS number of A2105/0088429 is 309282-85-7.
What is the molecular formula of A2105/0088429?
The molecular formula of A2105/0088429 is C22H21N3O3S.
What is the molecular weight of A2105/0088429?
The molecular weight of A2105/0088429 is 407.13 g/mol.
Where can I buy A2105/0088429?
You can request a quote for A2105/0088429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2105/0088429?
Yes, KEHONG BIO provides custom synthesis services for A2105/0088429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.