RefChem:227842
TL;DR: RefChem:227842 (CAS 37480-14-1) is a chemical compound with molecular formula C18H25Cl2NO3 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride
Also Known As: trans-(+-)-4-Piperidinomethyl-5-acetoxy-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl, 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-, 1-BENZOXEPIN-5-OL, 2,3,4,5-TETRAHYDRO-8-CHLORO-4-(1-PIPERIDINYLMETHYL)-, ACETATE, [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride, RefChem:227842
| Molecular Formula | C18H25Cl2NO3 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | -0.58 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.12115 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 37480-14-1 |
|---|---|
| SMILES | CC(=O)OC1[C@@H](CCOC2=C1C=CC(=C2)Cl)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | LZOUACBLHPVDAA-WVEXQUBRSA-N |
Product Overview
RefChem:227842 (CAS 37480-14-1), with molecular formula C18H25Cl2NO3 and molecular weight 373.12 g/mol. IUPAC: [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate chloride.
Chemical Property Profile of RefChem:227842
Property Insights of RefChem:227842
The XLogP value of -0.58 indicates that RefChem:227842 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:227842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227842 has 1 hydrogen bond donor(s) and 4 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:227842?
The CAS number of RefChem:227842 is 37480-14-1.
What is the molecular formula of RefChem:227842?
The molecular formula of RefChem:227842 is C18H25Cl2NO3.
What is the molecular weight of RefChem:227842?
The molecular weight of RefChem:227842 is 373.12 g/mol.
Where can I buy RefChem:227842?
You can request a quote for RefChem:227842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.