Einecs 262-287-0
TL;DR: Einecs 262-287-0 (CAS 60544-81-2) is a chemical compound with molecular formula C46H70ClN3O7 and molecular weight 811.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid;4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Also Known As: EINECS 262-287-0, (20beta)-3beta-Acetoxy-11-oxoolean-12-en-29-oic acid, compound with 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide (1:1), (20beta)-3beta-acetoxy-11-oxoolean-12-en-29-oic acid, compound with 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide (1:1), (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide, (5xi)-3beta-(Acetyloxy)-11-oxo-18alpha-olean-12-en-29-oic acid--4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1-carboximidic acid (1/1)
| Molecular Formula | C46H70ClN3O7 |
|---|---|
| Molecular Weight | 811.49 g/mol |
| LogP | 8.9858 |
| Topological Polar Surface Area | 148.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 811.49023 |
| Heavy Atoms | 57 |
| Complexity | 1775.2657 |
Chemical Identifiers
| CAS Number | 60544-81-2 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.CC(=O)O[C@H]1CC[C@@]2([C@H]3C(=O)C=C4[C@H]5C[C@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C(=O)O)C |
Product Overview
Einecs 262-287-0 (CAS 60544-81-2), with molecular formula C46H70ClN3O7 and molecular weight 811.49 g/mol. IUPAC: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid;4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.
Chemical Property Profile of Einecs 262-287-0
Property Insights of Einecs 262-287-0
The XLogP value of 8.9858 indicates that Einecs 262-287-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.26 Ų indicates high polarity, suggesting Einecs 262-287-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 262-287-0 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 262-287-0?
The CAS number of Einecs 262-287-0 is 60544-81-2.
What is the molecular formula of Einecs 262-287-0?
The molecular formula of Einecs 262-287-0 is C46H70ClN3O7.
What is the molecular weight of Einecs 262-287-0?
The molecular weight of Einecs 262-287-0 is 811.49 g/mol.
Where can I buy Einecs 262-287-0?
You can request a quote for Einecs 262-287-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-287-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-287-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.