9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-
TL;DR: 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- (CAS 80952-19-8) is a chemical compound with molecular formula C16H20BrClN2O and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,7R)-10-bromo-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;hydrochloride
Also Known As: (+-)-2-Bromo-6-propyl-9-oxaergoline hydrochloride, 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-, (6aRS,10aRS)-4,6,6a,8,9,10a-Hexahydro-5-bromo-7-propyl-7H-indolo(3,4-gh)(1,4)benzoxazine HCl, (6aR,10aR)-5-Bromo-7-propyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine--hydrogen chloride (1/1), RefChem:313265
| Molecular Formula | C16H20BrClN2O |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 4.0602 |
| Topological Polar Surface Area | 28.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.04474 |
| Heavy Atoms | 21 |
| Complexity | 655.0095 |
Chemical Identifiers
| CAS Number | 80952-19-8 |
|---|---|
| SMILES | CCCN1CCO[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Br.Cl |
Product Overview
9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- (CAS 80952-19-8), with molecular formula C16H20BrClN2O and molecular weight 370.04 g/mol. IUPAC: (2R,7R)-10-bromo-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;hydrochloride.
Chemical Property Profile of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-
Property Insights of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-
The XLogP value of 4.0602 indicates that 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.26 Ų, 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- has 1 hydrogen bond donor(s) and 2 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 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-?
The CAS number of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- is 80952-19-8.
What is the molecular formula of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-?
The molecular formula of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- is C16H20BrClN2O.
What is the molecular weight of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-?
The molecular weight of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- is 370.04 g/mol.
Where can I buy 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-?
You can request a quote for 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.