Milliamine A hydrochloride
TL;DR: Milliamine A hydrochloride (CAS 100311-38-4) is a chemical compound with molecular formula C45H50ClN3O10 and molecular weight 827.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(acetyloxymethyl)-5,6-dihydroxy-3,10,13,13-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.012,14]pentadeca-2,7-dienyl] 2-[[2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxybenzoyl]amino]benzoate;hydrochloride
Also Known As: Milliamine A HCl, Milliamine A hydrochloride, Benzoic acid, 2-((2-((2-dimethylamino)benzoyl)amino-3-hydroxybenzoyl)amino)-, 4-((acetyloxy)methyl)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-,2a,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1a-alpha,2-alpha,5-beta,5a-beta,6-beta,8a-alpha,9-alpha,10a-alpha))-, hydrochloride, 2-Aethoxy-4-butylamino-benzoesaeure-(3-piperidino-propylester),Dihydrochlorid
| Molecular Formula | C45H50ClN3O10 |
|---|---|
| Molecular Weight | 827.32 g/mol |
| LogP | 5.9487 |
| Topological Polar Surface Area | 191.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 827.3185 |
| Heavy Atoms | 59 |
| Complexity | 2303.7288 |
Chemical Identifiers
| CAS Number | 100311-38-4 |
|---|---|
| SMILES | CC1CC2C(C2(C)C)C34C=C(C(C3(C(C(=CC1C4=O)COC(=O)C)O)O)OC(=O)C5=CC=CC=C5NC(=O)C6=C(C(=CC=C6)O)NC(=O)C7=CC=CC=C7N(C)C)C.Cl |
Product Overview
Milliamine A hydrochloride (CAS 100311-38-4), with molecular formula C45H50ClN3O10 and molecular weight 827.32 g/mol. IUPAC: [7-(acetyloxymethyl)-5,6-dihydroxy-3,10,13,13-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.012,14]pentadeca-2,7-dienyl] 2-[[2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxybenzoyl]amino]benzoate;hydrochloride.
Chemical Property Profile of Milliamine A hydrochloride
Property Insights of Milliamine A hydrochloride
The XLogP value of 5.9487 indicates that Milliamine A hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.8 Ų indicates high polarity, suggesting Milliamine A hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Milliamine A hydrochloride has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Milliamine A hydrochloride?
The CAS number of Milliamine A hydrochloride is 100311-38-4.
What is the molecular formula of Milliamine A hydrochloride?
The molecular formula of Milliamine A hydrochloride is C45H50ClN3O10.
What is the molecular weight of Milliamine A hydrochloride?
The molecular weight of Milliamine A hydrochloride is 827.32 g/mol.
Where can I buy Milliamine A hydrochloride?
You can request a quote for Milliamine A hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Milliamine A hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Milliamine A hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.