RefChem:227844
TL;DR: RefChem:227844 (CAS 37480-17-4) is a chemical compound with molecular formula C22H27Cl2NO2 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride
Also Known As: (cis)-(+-)-2,3,4,5-Tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-1-benzoxepin-5-ol HCl, (cis)-(+-)-4-Piperidinomethyl-5-phenyl-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol HCl, 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-5-phenyl-4-(1-piperidinylmethyl)-, hydrochloride, cis-(+-)-, 1-BENZOXEPIN-5-OL, 2,3,4,5-TETRAHYDRO-8-CHLORO-5-PHENYL-4-(1-PIPERIDINYLMETHYL)-, (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride
| Molecular Formula | C22H27Cl2NO2 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.14188 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 37480-17-4 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2CCOC3=C([C@]2(C4=CC=CC=C4)O)C=CC(=C3)Cl.[Cl-] |
| InChIKey | YKNKWWBOSAFDPV-HDNPKDEKSA-N |
Product Overview
RefChem:227844 (CAS 37480-17-4), with molecular formula C22H27Cl2NO2 and molecular weight 407.14 g/mol. IUPAC: (5S)-8-chloro-5-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-ol chloride.
Chemical Property Profile of RefChem:227844
Property Insights of RefChem:227844
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227844. With a topological polar surface area (TPSA) of 33.9 Ų, RefChem:227844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227844 has 2 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 RefChem:227844?
The CAS number of RefChem:227844 is 37480-17-4.
What is the molecular formula of RefChem:227844?
The molecular formula of RefChem:227844 is C22H27Cl2NO2.
What is the molecular weight of RefChem:227844?
The molecular weight of RefChem:227844 is 407.14 g/mol.
Where can I buy RefChem:227844?
You can request a quote for RefChem:227844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.