RefChem:1091734
TL;DR: RefChem:1091734 (CAS 79120-79-9) is a chemical compound with molecular formula C22H28ClN3O2 and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15R,16S,20S)-N-ethyl-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxamide;hydrochloride
Also Known As: Ethylamide de l'acide didehydro-16,17 methyl-19 alpha oxayohimbanecarboxylique HCl [French], (19-alpha)-16,17-Didehydro-N-ethyl-19-methyloxayohimban-16-carboxamide monohydrochloride, Oxayohimban-16-carboxamide, 16,17-didehydro-N-ethyl-19-methyl-, monohydrochloride, (19-alpha)-, Ethylamide de l'acide didehydro-16,17 methyl-19 alpha oxayohimbanecarboxylique HCl, N-Ethyl-19-methyl-16,17-didehydro-18-oxayohimban-16-carboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C22H28ClN3O2 |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 3.5637 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.187 |
| Heavy Atoms | 28 |
| Complexity | 921.64264 |
Chemical Identifiers
| CAS Number | 79120-79-9 |
|---|---|
| SMILES | CCNC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C.Cl |
Product Overview
RefChem:1091734 (CAS 79120-79-9), with molecular formula C22H28ClN3O2 and molecular weight 401.19 g/mol. IUPAC: (1S,15R,16S,20S)-N-ethyl-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:1091734
Property Insights of RefChem:1091734
The XLogP value of 3.5637 indicates that RefChem:1091734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.36 Ų, RefChem:1091734 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091734 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:1091734?
The CAS number of RefChem:1091734 is 79120-79-9.
What is the molecular formula of RefChem:1091734?
The molecular formula of RefChem:1091734 is C22H28ClN3O2.
What is the molecular weight of RefChem:1091734?
The molecular weight of RefChem:1091734 is 401.19 g/mol.
Where can I buy RefChem:1091734?
You can request a quote for RefChem:1091734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.