Caprinol
TL;DR: Caprinol (CAS 75847-63-1) is a chemical compound with molecular formula C56H72ClN5O18S2 and molecular weight 1201.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Caprinol, (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mixt. with 4-chloro-N(1)-methyl-N(1)-((tetrahydro-2-methyl-2-furanyl)methyl)-1,3-benzenedisulfonamide and 3-hydroxy-alpha-methyl-L-tyrosine
| Molecular Formula | C56H72ClN5O18S2 |
|---|---|
| Molecular Weight | 1201.40 g/mol |
| LogP | 5.7904 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 18 |
| Exact Mass | 1201.4003 |
| Heavy Atoms | 82 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 75847-63-1 |
|---|---|
| SMILES | CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChIKey | MHMZGGBLBGIPEL-QVPQOOILSA-N |
Product Overview
Caprinol (CAS 75847-63-1), with molecular formula C56H72ClN5O18S2 and molecular weight 1201.40 g/mol. IUPAC: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Caprinol
Property Insights of Caprinol
The XLogP value of 5.7904 indicates that Caprinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 345.0 Ų indicates high polarity, suggesting Caprinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caprinol has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caprinol?
The CAS number of Caprinol is 75847-63-1.
What is the molecular formula of Caprinol?
The molecular formula of Caprinol is C56H72ClN5O18S2.
What is the molecular weight of Caprinol?
The molecular weight of Caprinol is 1201.40 g/mol.
Where can I buy Caprinol?
You can request a quote for Caprinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caprinol?
Yes, KEHONG BIO provides custom synthesis services for Caprinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.