磷酸利血平
TL;DR: 磷酸利血平 (CAS 1263-94-1) is a chemical compound with molecular formula C33H43N2O13P and molecular weight 706.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸利血平
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;phosphoric acid
Also Known As: Reserpine phosphate, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), phosphate, 3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-METHYL ESTER 3,4,5-TRIMETHOXYBENZOATE (ESTER), PHOSPHATE, YOHIMBAN-16-CARBOXYLIC ACID, 11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-, PHOSPHATE, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, phosphate
| Molecular Formula | C33H43N2O13P |
|---|---|
| Molecular Weight | 706.25 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 706.2503 |
| Heavy Atoms | 49 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 1263-94-1 |
|---|---|
| SMILES | 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.OP(=O)(O)O |
| InChIKey | DDFUAKBZKZESMV-BQTSRIDJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸利血平 (CAS 1263-94-1), with molecular formula C33H43N2O13P and molecular weight 706.25 g/mol. IUPAC: 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;phosphoric acid.
Chemical Property Profile of 磷酸利血平
Property Insights of 磷酸利血平
The XLogP value of 3.24 indicates that 磷酸利血平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting 磷酸利血平 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磷酸利血平 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸利血平?
The CAS number of 磷酸利血平 is 1263-94-1.
What is the molecular formula of 磷酸利血平?
The molecular formula of 磷酸利血平 is C33H43N2O13P.
What is the molecular weight of 磷酸利血平?
The molecular weight of 磷酸利血平 is 706.25 g/mol.
Where can I buy 磷酸利血平?
You can request a quote for 磷酸利血平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸利血平?
Yes, KEHONG BIO provides custom synthesis services for 磷酸利血平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.