A2123/0089120
TL;DR: A2123/0089120 (CAS 309277-28-9) is a chemical compound with molecular formula C29H30N4O2S and molecular weight 498.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A2123/0089120, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4h-cyclo-hepta[b]thien-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-YL)-4-(4-M ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbon itrile, 2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-4-(4-M ETHOXYPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBON ITRILE
| Molecular Formula | C29H30N4O2S |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 5.83816 |
| Topological Polar Surface Area | 103.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.20895 |
| Heavy Atoms | 36 |
| Complexity | 1381.9464 |
Chemical Identifiers
| CAS Number | 309277-28-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=C(C=C5)OC)C(=O)C1)C |
Product Overview
A2123/0089120 (CAS 309277-28-9), with molecular formula C29H30N4O2S and molecular weight 498.21 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of A2123/0089120
Property Insights of A2123/0089120
The XLogP value of 5.83816 indicates that A2123/0089120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.14 Ų falls within the moderate polarity range, balancing permeability and solubility for A2123/0089120. Following Lipinski's Rule of Five, A2123/0089120 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2123/0089120?
The CAS number of A2123/0089120 is 309277-28-9.
What is the molecular formula of A2123/0089120?
The molecular formula of A2123/0089120 is C29H30N4O2S.
What is the molecular weight of A2123/0089120?
The molecular weight of A2123/0089120 is 498.21 g/mol.
Where can I buy A2123/0089120?
You can request a quote for A2123/0089120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2123/0089120?
Yes, KEHONG BIO provides custom synthesis services for A2123/0089120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.