AB01286822-01
TL;DR: AB01286822-01 (CAS 488101-29-7) is a chemical compound with molecular formula C21H22BrN3O2S2 and molecular weight 491.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
Also Known As: AB01286822-01, N-(4-bromophenyl)-2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(4-bromophenyl)-2-((2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C21H22BrN3O2S2 |
|---|---|
| Molecular Weight | 491.03 g/mol |
| LogP | 5.5983 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.0337 |
| Heavy Atoms | 29 |
| Complexity | 1063.9686 |
Chemical Identifiers
| CAS Number | 488101-29-7 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
AB01286822-01 (CAS 488101-29-7), with molecular formula C21H22BrN3O2S2 and molecular weight 491.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[(5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB01286822-01
Property Insights of AB01286822-01
The XLogP value of 5.5983 indicates that AB01286822-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01286822-01. Following Lipinski's Rule of Five, AB01286822-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01286822-01?
The CAS number of AB01286822-01 is 488101-29-7.
What is the molecular formula of AB01286822-01?
The molecular formula of AB01286822-01 is C21H22BrN3O2S2.
What is the molecular weight of AB01286822-01?
The molecular weight of AB01286822-01 is 491.03 g/mol.
Where can I buy AB01286822-01?
You can request a quote for AB01286822-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01286822-01?
Yes, KEHONG BIO provides custom synthesis services for AB01286822-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.