EINECS 245-556-7
TL;DR: EINECS 245-556-7 (CAS 23284-27-7) is a chemical compound with molecular formula C47H49I3N2O13 and molecular weight 1230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid;methyl (15R,18S,20R)-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: EINECS 245-556-7, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mono(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodobenzeneacetate), 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-methyl ester 3,4,5-trimethoxybenzoate (ester), mono((4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-phenyl)acetate), Acetic acid, (4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, compd with methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester) (1:1), Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, compd with (3beta,16beta,17alpha,18beta,20alpha)-methyl 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylate (1:1)
| Molecular Formula | C47H49I3N2O13 |
|---|---|
| Molecular Weight | 1230.04 g/mol |
| LogP | 8.7965 |
| Topological Polar Surface Area | 184.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 1230.0369 |
| Heavy Atoms | 65 |
| Complexity | 2536.0862 |
Chemical Identifiers
| CAS Number | 23284-27-7 |
|---|---|
| SMILES | CO[C@@H]1C(C[C@H]2CN3CCC4=C(C3C[C@H]2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O |
Product Overview
EINECS 245-556-7 (CAS 23284-27-7), with molecular formula C47H49I3N2O13 and molecular weight 1230.04 g/mol. IUPAC: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid;methyl (15R,18S,20R)-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 EINECS 245-556-7
Property Insights of EINECS 245-556-7
The XLogP value of 8.7965 indicates that EINECS 245-556-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.54 Ų indicates high polarity, suggesting EINECS 245-556-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 245-556-7 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 245-556-7?
The CAS number of EINECS 245-556-7 is 23284-27-7.
What is the molecular formula of EINECS 245-556-7?
The molecular formula of EINECS 245-556-7 is C47H49I3N2O13.
What is the molecular weight of EINECS 245-556-7?
The molecular weight of EINECS 245-556-7 is 1230.04 g/mol.
Where can I buy EINECS 245-556-7?
You can request a quote for EINECS 245-556-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 245-556-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 245-556-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.