RefChem:227837
TL;DR: RefChem:227837 (CAS 96401-75-1) is a chemical compound with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride, 7-Methyl-4-((4-phenylpiperidino)methyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride, 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride, 7-Methyl-4-((4-phenylpiperidino)methyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride, AC1L1M9D, LS-42542, 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride, 96401-75-1
| Molecular Formula | C23H28ClNO2 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.18085 |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 96401-75-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCC(CC3)C4=CC=CC=C4.[Cl-] |
| InChIKey | CQMIDPXVNAOFHI-UHFFFAOYSA-N |
Product Overview
RefChem:227837 (CAS 96401-75-1), with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol. IUPAC: 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride.
Chemical Property Profile of RefChem:227837
Property Insights of RefChem:227837
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227837. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:227837 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227837 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 RefChem:227837?
The CAS number of RefChem:227837 is 96401-75-1.
What is the molecular formula of RefChem:227837?
The molecular formula of RefChem:227837 is C23H28ClNO2.
What is the molecular weight of RefChem:227837?
The molecular weight of RefChem:227837 is 385.18 g/mol.
Where can I buy RefChem:227837?
You can request a quote for RefChem:227837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227837?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.