A-benzoylamino-6-n-propylergoline
TL;DR: A-benzoylamino-6-n-propylergoline (CAS 101000-84-4) is a chemical compound with molecular formula C19H21ClFNS and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(2-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: A-benzoylamino-6-n-propylergoline, Dysprosium bromide selenide (DyBrSe), 2-methyl-6-n-propyl- 8alpha-ergolinyl-amine, Benzamide, N-[(8a)-2,6-dimethylergolin-8-yl]-, Ergoline-8-carboxylic acid, 2,6-dimethyl-, (8a)-
| Molecular Formula | C19H21ClFNS |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 0.4017 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.10672 |
| Heavy Atoms | 23 |
| Complexity | 712.26587 |
Chemical Identifiers
| CAS Number | 101000-84-4 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=C(C=C3)F.[Cl-] |
Product Overview
A-benzoylamino-6-n-propylergoline (CAS 101000-84-4), with molecular formula C19H21ClFNS and molecular weight 349.11 g/mol. IUPAC: [(3Z)-3-(2-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of A-benzoylamino-6-n-propylergoline
Property Insights of A-benzoylamino-6-n-propylergoline
The XLogP value of 0.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-benzoylamino-6-n-propylergoline. With a topological polar surface area (TPSA) of 4.44 Ų, A-benzoylamino-6-n-propylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-benzoylamino-6-n-propylergoline has 1 hydrogen bond donor(s) and 1 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 A-benzoylamino-6-n-propylergoline?
The CAS number of A-benzoylamino-6-n-propylergoline is 101000-84-4.
What is the molecular formula of A-benzoylamino-6-n-propylergoline?
The molecular formula of A-benzoylamino-6-n-propylergoline is C19H21ClFNS.
What is the molecular weight of A-benzoylamino-6-n-propylergoline?
The molecular weight of A-benzoylamino-6-n-propylergoline is 349.11 g/mol.
Where can I buy A-benzoylamino-6-n-propylergoline?
You can request a quote for A-benzoylamino-6-n-propylergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-benzoylamino-6-n-propylergoline?
Yes, KEHONG BIO provides custom synthesis services for A-benzoylamino-6-n-propylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.