EINECS 229-982-0
TL;DR: EINECS 229-982-0 (CAS 6877-39-0) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-7-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione
Also Known As: 2-hydroxy-11,15-dioxo-12,20-epoxypregn-5-en-3-yl 2,6-dideoxy-3-o-methylhexopyranoside
| Molecular Formula | C28H40O8 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.2723 |
| Heavy Atoms | 36 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 6877-39-0 |
|---|---|
| SMILES | CC1C2CC(=O)C3C2(C(O1)C(=O)C4C3CC=C5C4(CC(C(C5)OC6CC(C(C(O6)C)O)OC)O)C)C |
| InChIKey | QEFALKLEMZRSQY-UHFFFAOYSA-N |
Product Overview
EINECS 229-982-0 (CAS 6877-39-0), with molecular formula C28H40O8 and molecular weight 504.27 g/mol. IUPAC: 8-hydroxy-7-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione.
Chemical Property Profile of EINECS 229-982-0
Property Insights of EINECS 229-982-0
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 229-982-0. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 229-982-0. Following Lipinski's Rule of Five, EINECS 229-982-0 has 2 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 229-982-0?
The CAS number of EINECS 229-982-0 is 6877-39-0.
What is the molecular formula of EINECS 229-982-0?
The molecular formula of EINECS 229-982-0 is C28H40O8.
What is the molecular weight of EINECS 229-982-0?
The molecular weight of EINECS 229-982-0 is 504.27 g/mol.
Where can I buy EINECS 229-982-0?
You can request a quote for EINECS 229-982-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-982-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-982-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.