RUK6A4RQ7D
TL;DR: RUK6A4RQ7D (CAS 173676-60-3) is a chemical compound with molecular formula C21H19ClF3NO2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Also Known As: Efavirenz Impurity 19, Efavirenz Impurity 14, S016, J1.067.508A, (2S)-2-[5-Chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
| Molecular Formula | C21H19ClF3NO2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 5.124 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10565 |
| Heavy Atoms | 28 |
| Complexity | 898.59235 |
Chemical Identifiers
| CAS Number | 173676-60-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)[C@@](C#CC3CC3)(C(F)(F)F)O |
Product Overview
RUK6A4RQ7D (CAS 173676-60-3), with molecular formula C21H19ClF3NO2 and molecular weight 409.11 g/mol. IUPAC: (2S)-2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol.
Chemical Property Profile of RUK6A4RQ7D
Property Insights of RUK6A4RQ7D
The XLogP value of 5.124 indicates that RUK6A4RQ7D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, RUK6A4RQ7D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RUK6A4RQ7D has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RUK6A4RQ7D?
The CAS number of RUK6A4RQ7D is 173676-60-3.
What is the molecular formula of RUK6A4RQ7D?
The molecular formula of RUK6A4RQ7D is C21H19ClF3NO2.
What is the molecular weight of RUK6A4RQ7D?
The molecular weight of RUK6A4RQ7D is 409.11 g/mol.
Where can I buy RUK6A4RQ7D?
You can request a quote for RUK6A4RQ7D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RUK6A4RQ7D?
Yes, KEHONG BIO provides custom synthesis services for RUK6A4RQ7D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.