AI-020/14916136
TL;DR: AI-020/14916136 (CAS 444790-36-7) is a chemical compound with molecular formula C28H25ClN2O3S and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)sulfonylphenyl]-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone
Also Known As: AI-020/14916136, (4-((4-chlorophenyl)sulfonyl)phenyl)(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)methanone, {4-[(4-chlorophenyl)sulfonyl]phenyl}(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone, 3-{4-[(4-chlorophenyl)sulfonyl]benzoyl}-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
| Molecular Formula | C28H25ClN2O3S |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 5.96932 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.12744 |
| Heavy Atoms | 35 |
| Complexity | 1571.4971 |
Chemical Identifiers
| CAS Number | 444790-36-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)Cl |
Product Overview
AI-020/14916136 (CAS 444790-36-7), with molecular formula C28H25ClN2O3S and molecular weight 504.13 g/mol. IUPAC: [4-(4-chlorophenyl)sulfonylphenyl]-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone.
Chemical Property Profile of AI-020/14916136
Property Insights of AI-020/14916136
The XLogP value of 5.96932 indicates that AI-020/14916136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, AI-020/14916136 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI-020/14916136 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-020/14916136?
The CAS number of AI-020/14916136 is 444790-36-7.
What is the molecular formula of AI-020/14916136?
The molecular formula of AI-020/14916136 is C28H25ClN2O3S.
What is the molecular weight of AI-020/14916136?
The molecular weight of AI-020/14916136 is 504.13 g/mol.
Where can I buy AI-020/14916136?
You can request a quote for AI-020/14916136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-020/14916136?
Yes, KEHONG BIO provides custom synthesis services for AI-020/14916136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.