Brl35135A
TL;DR: Brl35135A (CAS 86615-96-5) is a chemical compound with molecular formula C20H24ClNO4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
Also Known As: Brl35135A, Acetic acid, (4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)-, methyl ester, rel-, methyl 2-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
| Molecular Formula | C20H24ClNO4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.13937 |
| Heavy Atoms | 26 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 86615-96-5 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)OCC(=O)OC)NC[C@@H](C2=CC(=CC=C2)Cl)O |
| InChIKey | ZFLBZHXQAMUEFS-PKDNWHCCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brl35135A (CAS 86615-96-5), with molecular formula C20H24ClNO4 and molecular weight 377.14 g/mol. IUPAC: methyl 2-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate.
Chemical Property Profile of Brl35135A
Property Insights of Brl35135A
The XLogP value of 3.6 indicates that Brl35135A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Brl35135A. Following Lipinski's Rule of Five, Brl35135A has 2 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 Brl35135A?
The CAS number of Brl35135A is 86615-96-5.
What is the molecular formula of Brl35135A?
The molecular formula of Brl35135A is C20H24ClNO4.
What is the molecular weight of Brl35135A?
The molecular weight of Brl35135A is 377.14 g/mol.
Where can I buy Brl35135A?
You can request a quote for Brl35135A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl35135A?
Yes, KEHONG BIO provides custom synthesis services for Brl35135A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.