奥莫佐坦
TL;DR: 奥莫佐坦 (CAS 137275-81-1) is a chemical compound with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥莫佐坦
3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine;hydrochloride
Also Known As: Osemozotan HCl, Osemozotan hydrochloride, Osemozotan, Mkc 242, Osemozotan (hydrochloride)
| Molecular Formula | C19H22ClNO5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 3.0356 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.11865 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 137275-81-1 |
|---|---|
| SMILES | C1[C@@H](OC2=CC=CC=C2O1)CNCCCOC3=CC4=C(C=C3)OCO4.Cl |
| InChIKey | GGNCUSDIUUCNKE-RSAXXLAASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥莫佐坦 (CAS 137275-81-1), with molecular formula C19H22ClNO5 and molecular weight 379.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine;hydrochloride.
Chemical Property Profile of 奥莫佐坦
Property Insights of 奥莫佐坦
The XLogP value of 3.0356 indicates that 奥莫佐坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 奥莫佐坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥莫佐坦 has 2 hydrogen bond donor(s) and 6 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 奥莫佐坦?
The CAS number of 奥莫佐坦 is 137275-81-1.
What is the molecular formula of 奥莫佐坦?
The molecular formula of 奥莫佐坦 is C19H22ClNO5.
What is the molecular weight of 奥莫佐坦?
The molecular weight of 奥莫佐坦 is 379.12 g/mol.
Where can I buy 奥莫佐坦?
You can request a quote for 奥莫佐坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥莫佐坦?
Yes, KEHONG BIO provides custom synthesis services for 奥莫佐坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.