AO-081/40926656
TL;DR: AO-081/40926656 (CAS 440098-13-5) is a chemical compound with molecular formula C23H23BrN2O4S and molecular weight 502.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
Also Known As: AO-081/40926656, 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide, 2-[(4-bromobenzyl)(phenylsulfonyl)amino]-N-(4-methoxybenzyl)acetamide, N~2~-(4-bromobenzyl)-N-(4-methoxybenzyl)-N~2~-(phenylsulfonyl)glycinamide, 2-{N-[(4-BROMOPHENYL)METHYL]BENZENESULFONAMIDO}-N-[(4-METHOXYPHENYL)METHYL]ACETAMIDE
| Molecular Formula | C23H23BrN2O4S |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 3.965 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.05618 |
| Heavy Atoms | 31 |
| Complexity | 1102.5781 |
Chemical Identifiers
| CAS Number | 440098-13-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
AO-081/40926656 (CAS 440098-13-5), with molecular formula C23H23BrN2O4S and molecular weight 502.06 g/mol. IUPAC: 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
Chemical Property Profile of AO-081/40926656
Property Insights of AO-081/40926656
The XLogP value of 3.965 indicates that AO-081/40926656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40926656. Following Lipinski's Rule of Five, AO-081/40926656 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40926656?
The CAS number of AO-081/40926656 is 440098-13-5.
What is the molecular formula of AO-081/40926656?
The molecular formula of AO-081/40926656 is C23H23BrN2O4S.
What is the molecular weight of AO-081/40926656?
The molecular weight of AO-081/40926656 is 502.06 g/mol.
Where can I buy AO-081/40926656?
You can request a quote for AO-081/40926656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40926656?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40926656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.