LY 99335
TL;DR: LY 99335 (CAS 83200-90-2) is a chemical compound with molecular formula C14H22ClNO and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3R,4R)-1,3,4-trimethylpiperidin-4-yl]phenol;hydrochloride
Also Known As: LY 99335, 3-[(3r,4r)-1,3,4-trimethylpiperidin-4-yl]phenol hydrochloride(1:1), Phenol, 3-(1,3,4-trimethyl-4-piperidinyl)-, hydrochloride, cis-(+/-)-, 3-[(3R,4R)-1,3,4-trimethylpiperidin-4-yl]phenol;hydrochloride, 3-(1,3,4-Trimethylpiperidin-4-yl)phenol--hydrogen chloride (1/1)
| Molecular Formula | C14H22ClNO |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 3.0433 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.13899 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 83200-90-2 |
|---|---|
| SMILES | C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C.Cl |
| InChIKey | SPNIBSZVXCWVMO-YECZQDJWSA-N |
Product Overview
LY 99335 (CAS 83200-90-2), with molecular formula C14H22ClNO and molecular weight 255.14 g/mol. IUPAC: 3-[(3R,4R)-1,3,4-trimethylpiperidin-4-yl]phenol;hydrochloride.
Chemical Property Profile of LY 99335
Property Insights of LY 99335
The XLogP value of 3.0433 indicates that LY 99335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, LY 99335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY 99335 has 2 hydrogen bond donor(s) and 2 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 LY 99335?
The CAS number of LY 99335 is 83200-90-2.
What is the molecular formula of LY 99335?
The molecular formula of LY 99335 is C14H22ClNO.
What is the molecular weight of LY 99335?
The molecular weight of LY 99335 is 255.14 g/mol.
Where can I buy LY 99335?
You can request a quote for LY 99335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 99335?
Yes, KEHONG BIO provides custom synthesis services for LY 99335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.