Milliamine C
TL;DR: Milliamine C (CAS 49620-09-9) is a chemical compound with molecular formula C43H47N3O9 and molecular weight 749.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-[[2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxybenzoyl]amino]benzoate
Also Known As: Milliamine C, Benzoic acid, 2-((2-((2-(dimethylamino)benzoyl)amino)-3-hydroxybenzoyl)amino)-, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-, (1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl 2-{2-[2-(dimethylamino)benzamido]-3-hydroxybenzamido}benzoate, 2-[[2-[[2-(Dimethylamino)benzoyl]amino]-3-hydroxybenzoyl]amino]benzoic acid (1aR,2S)-1aalpha,2,5,5a,6,9,10,10aalpha-octahydro-5beta,5abeta-dihydroxy-4-hydroxymethyl-1,1,7,9alpha-tetramethyl-11-oxo-1H-2beta,8aalpha-methanocyclopenta[a]cyclopropa[e]cyclodecen-6beta-yl ester
| Molecular Formula | C43H47N3O9 |
|---|---|
| Molecular Weight | 749.33 g/mol |
| LogP | 4.9561 |
| Topological Polar Surface Area | 185.73 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 749.33124 |
| Heavy Atoms | 55 |
| Complexity | 2174.9624 |
Chemical Identifiers
| CAS Number | 49620-09-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5NC(=O)C6=C(C(=CC=C6)O)NC(=O)C7=CC=CC=C7N(C)C)C)O)O)CO |
Product Overview
Milliamine C (CAS 49620-09-9), with molecular formula C43H47N3O9 and molecular weight 749.33 g/mol. IUPAC: [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-[[2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxybenzoyl]amino]benzoate.
Chemical Property Profile of Milliamine C
Property Insights of Milliamine C
The XLogP value of 4.9561 indicates that Milliamine C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.73 Ų indicates high polarity, suggesting Milliamine C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Milliamine C has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Milliamine C?
The CAS number of Milliamine C is 49620-09-9.
What is the molecular formula of Milliamine C?
The molecular formula of Milliamine C is C43H47N3O9.
What is the molecular weight of Milliamine C?
The molecular weight of Milliamine C is 749.33 g/mol.
Where can I buy Milliamine C?
You can request a quote for Milliamine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Milliamine C?
Yes, KEHONG BIO provides custom synthesis services for Milliamine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.