EINECS 276-164-4
TL;DR: EINECS 276-164-4 (CAS 71889-05-9) is a chemical compound with molecular formula C23H25BCl2N2O3 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methoxy]boronic acid
Also Known As: EINECS 276-164-4, Benzenemethanol, 4-amino-alpha-(4-amino-3,5-dimethylphenyl)-alpha-(2,6-dichlorophenyl)-3,5-dimethyl-, monoester with boric acid (H3BO3), 4,4'-Diamino-3,3',5,5'-tetramethyl-2'',6''-trityl alcohol, monoester with boric acid, Benzenemethanol, 4-amino-.alpha.-(4-amino-3,5-dimethylphenyl)-.alpha.-(2,6-dichlorophenyl)-3,5-dimethyl-, monoester with boric acid (H3BO3), Benzenemethanol, 4-amino-alpha-(4-amino-3,5-dimethylphenyl)-alpha-(2,6-dichlorophenyl)-3,5-dimethyl-, ester with boric acid (H3BO3) (1:1)
| Molecular Formula | C23H25BCl2N2O3 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 4.66948 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1335 |
| Heavy Atoms | 31 |
| Complexity | 1027.9009 |
Chemical Identifiers
| CAS Number | 71889-05-9 |
|---|---|
| SMILES | B(O)(O)OC(C1=CC(=C(C(=C1)C)N)C)(C2=CC(=C(C(=C2)C)N)C)C3=C(C=CC=C3Cl)Cl |
Product Overview
EINECS 276-164-4 (CAS 71889-05-9), with molecular formula C23H25BCl2N2O3 and molecular weight 458.13 g/mol. IUPAC: [bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methoxy]boronic acid.
Chemical Property Profile of EINECS 276-164-4
Property Insights of EINECS 276-164-4
The XLogP value of 4.66948 indicates that EINECS 276-164-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 276-164-4. Following Lipinski's Rule of Five, EINECS 276-164-4 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-164-4?
The CAS number of EINECS 276-164-4 is 71889-05-9.
What is the molecular formula of EINECS 276-164-4?
The molecular formula of EINECS 276-164-4 is C23H25BCl2N2O3.
What is the molecular weight of EINECS 276-164-4?
The molecular weight of EINECS 276-164-4 is 458.13 g/mol.
Where can I buy EINECS 276-164-4?
You can request a quote for EINECS 276-164-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-164-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-164-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.