Konbamide
TL;DR: Konbamide (CAS 136466-02-9) is a chemical compound with molecular formula C40H61BrN8O9 and molecular weight 876.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(6S,9S,12S,15S)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid
Also Known As: Konbamide, (2S)-2-(((3S,6S,9S,12S,15S)-3-((2-bromo-5-hydroxy-1H-indol-3-yl)methyl)-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-4-methylpentanoic acid, (2S)-2-(((6S,9S,12S,15R)-3-((2-bromo-5-hydroxy-1H-indol-3-yl)methyl)-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-4-methylpentanoic acid, (2S)-2-[[(3S,6S,9S,12S,15S)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid, (2S)-2-[[(6S,9S,12S,15R)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid
| Molecular Formula | C40H61BrN8O9 |
|---|---|
| Molecular Weight | 876.37 g/mol |
| LogP | 3.0392 |
| Topological Polar Surface Area | 251.16 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 876.3745 |
| Heavy Atoms | 58 |
| Complexity | 1798.1779 |
Chemical Identifiers
| CAS Number | 136466-02-9 |
|---|---|
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)N[C@@H](CC(C)C)C(=O)O)CC2=C(NC3=C2C=C(C=C3)O)Br)CC(C)C)C)CC(C)C |
Product Overview
Konbamide (CAS 136466-02-9), with molecular formula C40H61BrN8O9 and molecular weight 876.37 g/mol. IUPAC: (2S)-2-[[(6S,9S,12S,15S)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid.
Chemical Property Profile of Konbamide
Property Insights of Konbamide
The XLogP value of 3.0392 indicates that Konbamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.16 Ų indicates high polarity, suggesting Konbamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Konbamide has 9 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Konbamide?
The CAS number of Konbamide is 136466-02-9.
What is the molecular formula of Konbamide?
The molecular formula of Konbamide is C40H61BrN8O9.
What is the molecular weight of Konbamide?
The molecular weight of Konbamide is 876.37 g/mol.
Where can I buy Konbamide?
You can request a quote for Konbamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Konbamide?
Yes, KEHONG BIO provides custom synthesis services for Konbamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.