Sensibamine
TL;DR: Sensibamine (CAS 8048-75-7) is a chemical compound with molecular formula C66H70N10O10 and molecular weight 1162.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aS,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Sensibamine, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-, mixt. with (5'-alpha,8-alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.)-, mixt. with (5'.alpha.,8.alpha.)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione, RefChem:1098467
| Molecular Formula | C66H70N10O10 |
|---|---|
| Molecular Weight | 1162.53 g/mol |
| LogP | 3.9816 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 1162.5276 |
| Heavy Atoms | 86 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 8048-75-7 |
|---|---|
| SMILES | C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C |
| InChIKey | LRSFWJKFODHITK-ANPVGLNPSA-N |
Product Overview
Sensibamine (CAS 8048-75-7), with molecular formula C66H70N10O10 and molecular weight 1162.53 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aS,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Sensibamine
Property Insights of Sensibamine
The XLogP value of 3.9816 indicates that Sensibamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Sensibamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sensibamine has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sensibamine?
The CAS number of Sensibamine is 8048-75-7.
What is the molecular formula of Sensibamine?
The molecular formula of Sensibamine is C66H70N10O10.
What is the molecular weight of Sensibamine?
The molecular weight of Sensibamine is 1162.53 g/mol.
Where can I buy Sensibamine?
You can request a quote for Sensibamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sensibamine?
Yes, KEHONG BIO provides custom synthesis services for Sensibamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.