EINECS 231-585-2
TL;DR: EINECS 231-585-2 (CAS 7645-58-1) is a chemical compound with molecular formula C31H42O8S and molecular weight 574.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A8325, [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, (5, A,11, A,16
| Molecular Formula | C31H42O8S |
|---|---|
| Molecular Weight | 574.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.26 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 7645-58-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)OS(=O)(=O)C5=CC=C(C=C5)C)C |
| InChIKey | BAOPJFFGWAXPHH-ROZYOPKOSA-N |
Product Overview
EINECS 231-585-2 (CAS 7645-58-1), with molecular formula C31H42O8S and molecular weight 574.26 g/mol. IUPAC: [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 231-585-2
Property Insights of EINECS 231-585-2
The XLogP value of 4.5 indicates that EINECS 231-585-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 231-585-2. Following Lipinski's Rule of Five, EINECS 231-585-2 has 1 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 231-585-2?
The CAS number of EINECS 231-585-2 is 7645-58-1.
What is the molecular formula of EINECS 231-585-2?
The molecular formula of EINECS 231-585-2 is C31H42O8S.
What is the molecular weight of EINECS 231-585-2?
The molecular weight of EINECS 231-585-2 is 574.26 g/mol.
Where can I buy EINECS 231-585-2?
You can request a quote for EINECS 231-585-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 231-585-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 231-585-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.