2164U90
TL;DR: 2164U90 (CAS 152802-07-8) is a chemical compound with molecular formula C21H27NO2S and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R)-3-butyl-3-ethyl-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide
Also Known As: EX-A8091E, 2164u90, S-382, J1.258.226I, S-0382
| Molecular Formula | C21H27NO2S |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 4.4919 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.17624 |
| Heavy Atoms | 25 |
| Complexity | 816.7995 |
Chemical Identifiers
| CAS Number | 152802-07-8 |
|---|---|
| SMILES | CCCC[C@@]1(CS(=O)(=O)C2=CC=CC=C2[C@H](N1)C3=CC=CC=C3)CC |
Product Overview
2164U90 (CAS 152802-07-8), with molecular formula C21H27NO2S and molecular weight 357.18 g/mol. IUPAC: (3R,5R)-3-butyl-3-ethyl-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide.
Chemical Property Profile of 2164U90
Property Insights of 2164U90
The XLogP value of 4.4919 indicates that 2164U90 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 2164U90 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2164U90 has 1 hydrogen bond donor(s) and 3 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 2164U90?
The CAS number of 2164U90 is 152802-07-8.
What is the molecular formula of 2164U90?
The molecular formula of 2164U90 is C21H27NO2S.
What is the molecular weight of 2164U90?
The molecular weight of 2164U90 is 357.18 g/mol.
Where can I buy 2164U90?
You can request a quote for 2164U90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2164U90?
Yes, KEHONG BIO provides custom synthesis services for 2164U90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.