ChemDiv1_028914
TL;DR: ChemDiv1_028914 (CAS 289722-08-3) is a chemical compound with molecular formula C20H25BrNO3PS and molecular weight 469.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)-(4-ethoxyphenyl)methyl]aniline
Also Known As: ChemDiv1_028914, MixCom3_000078, 4-bromo-N-[(5,5-dimethyl-2-sulfanylidene-1,3,2, 4-bromo-N-[(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)(4-ethoxyphenyl)methyl]aniline, 2-{[(4-bromophenyl)amino](4-ethoxyphenyl)methyl}-5,5-dimethyl-1,3,2-dioxaphosp hane-2-thione
| Molecular Formula | C20H25BrNO3PS |
|---|---|
| Molecular Weight | 469.05 g/mol |
| LogP | 6.341 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.0476 |
| Heavy Atoms | 27 |
| Complexity | 796.98145 |
Chemical Identifiers
| CAS Number | 289722-08-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(NC2=CC=C(C=C2)Br)P3(=S)OCC(CO3)(C)C |
Product Overview
ChemDiv1_028914 (CAS 289722-08-3), with molecular formula C20H25BrNO3PS and molecular weight 469.05 g/mol. IUPAC: 4-bromo-N-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)-(4-ethoxyphenyl)methyl]aniline.
Chemical Property Profile of ChemDiv1_028914
Property Insights of ChemDiv1_028914
The XLogP value of 6.341 indicates that ChemDiv1_028914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, ChemDiv1_028914 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028914 has 1 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 ChemDiv1_028914?
The CAS number of ChemDiv1_028914 is 289722-08-3.
What is the molecular formula of ChemDiv1_028914?
The molecular formula of ChemDiv1_028914 is C20H25BrNO3PS.
What is the molecular weight of ChemDiv1_028914?
The molecular weight of ChemDiv1_028914 is 469.05 g/mol.
Where can I buy ChemDiv1_028914?
You can request a quote for ChemDiv1_028914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028914?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.