Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride
TL;DR: Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride (CAS 72782-54-8) is a chemical compound with molecular formula C19H29ClN4O2S and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
Also Known As: Cid 155744, Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride, N,N-Diethyl-N'-(6-methylergolin-8-yl)sulfuric diamide--hydrogen chloride (1/1), N,N-Diethyl-N'-[(10xi)-6-methylergolin-8alpha-yl]sulfuric diamide--hydrogen chloride (1/1)
| Molecular Formula | C19H29ClN4O2S |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 2.4783 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.16998 |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 72782-54-8 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)N[C@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.Cl |
| InChIKey | CXAMVUWEGXETIO-IVAWQFMLSA-N |
Product Overview
Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride (CAS 72782-54-8), with molecular formula C19H29ClN4O2S and molecular weight 412.17 g/mol. IUPAC: (6aR,9S)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride.
Chemical Property Profile of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride
Property Insights of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride
The XLogP value of 2.4783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride. Following Lipinski's Rule of Five, Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride has 3 hydrogen bond donor(s) and 5 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 Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride?
The CAS number of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride is 72782-54-8.
What is the molecular formula of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride?
The molecular formula of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride is C19H29ClN4O2S.
What is the molecular weight of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride?
The molecular weight of Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride is 412.17 g/mol.
Where can I buy Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride?
You can request a quote for Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Sulfamide, N,N-diethyl-N'-((8alpha)-6-methylergolin-8-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.