A0404/0018620
TL;DR: A0404/0018620 (CAS 301646-26-4) is a chemical compound with molecular formula C29H22N4O and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzoyl-6-cyano-2-phenyl-1,2,3,8a-tetrahydroindolizin-1-yl)-cyclopropylmethylidene]propanedinitrile
Also Known As: A0404/0018620, 2-((3-benzoyl-6-cyano-2-phenyl-1,2,3,8a-tetrahydroindolizin-1-yl)(cyclopropyl)methylene)malononitrile, 2-[(3-benzoyl-6-cyano-2-phenyl-1,2,3,8a-tetrahydroindolizin-1-yl)-cyclopropylmethylidene]propanedinitrile
| Molecular Formula | C29H22N4O |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 5.05314 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.17935 |
| Heavy Atoms | 34 |
| Complexity | 1314.4849 |
Chemical Identifiers
| CAS Number | 301646-26-4 |
|---|---|
| SMILES | C1CC1C(=C(C#N)C#N)C2C3C=CC(=CN3C(C2C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C#N |
Product Overview
A0404/0018620 (CAS 301646-26-4), with molecular formula C29H22N4O and molecular weight 442.18 g/mol. IUPAC: 2-[(3-benzoyl-6-cyano-2-phenyl-1,2,3,8a-tetrahydroindolizin-1-yl)-cyclopropylmethylidene]propanedinitrile.
Chemical Property Profile of A0404/0018620
Property Insights of A0404/0018620
The XLogP value of 5.05314 indicates that A0404/0018620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for A0404/0018620. Following Lipinski's Rule of Five, A0404/0018620 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0404/0018620?
The CAS number of A0404/0018620 is 301646-26-4.
What is the molecular formula of A0404/0018620?
The molecular formula of A0404/0018620 is C29H22N4O.
What is the molecular weight of A0404/0018620?
The molecular weight of A0404/0018620 is 442.18 g/mol.
Where can I buy A0404/0018620?
You can request a quote for A0404/0018620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0404/0018620?
Yes, KEHONG BIO provides custom synthesis services for A0404/0018620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.