cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride
TL;DR: cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride (CAS 77956-93-5) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol;hydrochloride
Also Known As: Exepanol hydrochloride, cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride, (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloride, (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol,hydrochloride, (3S,5R)-3-(Methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol--hydrogen chloride (1/1)
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.5123 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 77956-93-5 |
|---|---|
| SMILES | CN[C@H]1C[C@H](C2=CC=CC=C2OC1)O.Cl |
| InChIKey | WCDHGUIVSKAJDW-KXNXZCPBSA-N |
Product Overview
cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride (CAS 77956-93-5), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol;hydrochloride.
Chemical Property Profile of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride
Property Insights of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride
The XLogP value of 1.5123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride. With a topological polar surface area (TPSA) of 41.5 Ų, cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride has 3 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 cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride?
The CAS number of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride is 77956-93-5.
What is the molecular formula of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride?
The molecular formula of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride is C11H16ClNO2.
What is the molecular weight of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride?
The molecular weight of cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride is 229.09 g/mol.
Where can I buy cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride?
You can request a quote for cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cis-(1)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.