NJB3ZA2RYK
TL;DR: NJB3ZA2RYK (CAS 36149-35-6) is a chemical compound with molecular formula C29H32ClNO2 and molecular weight 461.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one
Also Known As: KST-1A4220, erythro-3-(p-Chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)valerophenone, (2r,3s)-3-(4-chlorophenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one, Valerophenone, 3-(p-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro-, 1-Pentanone,3-(4-chlorophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-(9CI)
| Molecular Formula | C29H32ClNO2 |
|---|---|
| Molecular Weight | 461.21 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.21216 |
| Heavy Atoms | 33 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 36149-35-6 |
|---|---|
| SMILES | CC[C@H](C1=CC=C(C=C1)Cl)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4 |
| InChIKey | YVJCVDITPPOTEG-IZLXSDGUSA-N |
Product Overview
NJB3ZA2RYK (CAS 36149-35-6), with molecular formula C29H32ClNO2 and molecular weight 461.21 g/mol. IUPAC: (2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one.
Chemical Property Profile of NJB3ZA2RYK
Property Insights of NJB3ZA2RYK
The XLogP value of 7.2 indicates that NJB3ZA2RYK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, NJB3ZA2RYK exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NJB3ZA2RYK has 0 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 NJB3ZA2RYK?
The CAS number of NJB3ZA2RYK is 36149-35-6.
What is the molecular formula of NJB3ZA2RYK?
The molecular formula of NJB3ZA2RYK is C29H32ClNO2.
What is the molecular weight of NJB3ZA2RYK?
The molecular weight of NJB3ZA2RYK is 461.21 g/mol.
Where can I buy NJB3ZA2RYK?
You can request a quote for NJB3ZA2RYK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NJB3ZA2RYK?
Yes, KEHONG BIO provides custom synthesis services for NJB3ZA2RYK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.