Cl-4AS-1
TL;DR: Cl-4AS-1 (CAS 30902-36-4) is a chemical compound with molecular formula C26H33ClN2O2 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
Also Known As: Cl-4AS-1, Cytarabine Impurity N3, Cl-4As1, EX-A14425, J3.216.249E
| Molecular Formula | C26H33ClN2O2 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 5.5341 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.22305 |
| Heavy Atoms | 31 |
| Complexity | 945.0896 |
Chemical Identifiers
| CAS Number | 30902-36-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=CC=CC=C4Cl)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C |
Product Overview
Cl-4AS-1 (CAS 30902-36-4), with molecular formula C26H33ClN2O2 and molecular weight 440.22 g/mol. IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.
Chemical Property Profile of Cl-4AS-1
Property Insights of Cl-4AS-1
The XLogP value of 5.5341 indicates that Cl-4AS-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, Cl-4AS-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cl-4AS-1 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cl-4AS-1?
The CAS number of Cl-4AS-1 is 30902-36-4.
What is the molecular formula of Cl-4AS-1?
The molecular formula of Cl-4AS-1 is C26H33ClN2O2.
What is the molecular weight of Cl-4AS-1?
The molecular weight of Cl-4AS-1 is 440.22 g/mol.
Where can I buy Cl-4AS-1?
You can request a quote for Cl-4AS-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cl-4AS-1?
Yes, KEHONG BIO provides custom synthesis services for Cl-4AS-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.