EINECS 262-721-9
TL;DR: EINECS 262-721-9 (CAS 61339-41-1) is a chemical compound with molecular formula C24H29BrO5 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S,10S,11S,13R,14R,15S)-14-bromo-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-721-9, 17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate, 17-Bromo-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate, (9xi)-17-Bromo-16alpha-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
| Molecular Formula | C24H29BrO5 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 3.9375 |
| Topological Polar Surface Area | 72.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.11984 |
| Heavy Atoms | 30 |
| Complexity | 922.55707 |
Chemical Identifiers
| CAS Number | 61339-41-1 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)C |
Product Overview
EINECS 262-721-9 (CAS 61339-41-1), with molecular formula C24H29BrO5 and molecular weight 476.12 g/mol. IUPAC: [2-[(2S,10S,11S,13R,14R,15S)-14-bromo-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 262-721-9
Property Insights of EINECS 262-721-9
The XLogP value of 3.9375 indicates that EINECS 262-721-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.97 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-721-9. Following Lipinski's Rule of Five, EINECS 262-721-9 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-721-9?
The CAS number of EINECS 262-721-9 is 61339-41-1.
What is the molecular formula of EINECS 262-721-9?
The molecular formula of EINECS 262-721-9 is C24H29BrO5.
What is the molecular weight of EINECS 262-721-9?
The molecular weight of EINECS 262-721-9 is 476.12 g/mol.
Where can I buy EINECS 262-721-9?
You can request a quote for EINECS 262-721-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-721-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-721-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.