RefChem:567115
TL;DR: RefChem:567115 (CAS 68479-79-8) is a chemical compound with molecular formula C26H30N2O10 and molecular weight 530.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-[[4,8-dihydroxy-5-[[3-(2-methoxyethoxy)-3-oxopropyl]amino]-9,10-dioxoanthracen-1-yl]amino]propanoate
Also Known As: bis N,N'- bis-beta-alaninate, N,N'-(4,8-Dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis(beta-alanine), bis(2-methoxyethyl) ester, .beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester, beta-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester, Bis(2-methoxyethyl) N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-beta-alaninate
| Molecular Formula | C26H30N2O10 |
|---|---|
| Molecular Weight | 530.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 530.19006 |
| Heavy Atoms | 38 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 68479-79-8 |
|---|---|
| SMILES | COCCOC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)NCCC(=O)OCCOC |
| InChIKey | YVEWFPRYDOIMKL-UHFFFAOYSA-N |
Product Overview
RefChem:567115 (CAS 68479-79-8), with molecular formula C26H30N2O10 and molecular weight 530.19 g/mol. IUPAC: 2-methoxyethyl 3-[[4,8-dihydroxy-5-[[3-(2-methoxyethoxy)-3-oxopropyl]amino]-9,10-dioxoanthracen-1-yl]amino]propanoate.
Chemical Property Profile of RefChem:567115
Property Insights of RefChem:567115
The XLogP value of 3.7 indicates that RefChem:567115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:567115 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567115 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:567115?
The CAS number of RefChem:567115 is 68479-79-8.
What is the molecular formula of RefChem:567115?
The molecular formula of RefChem:567115 is C26H30N2O10.
What is the molecular weight of RefChem:567115?
The molecular weight of RefChem:567115 is 530.19 g/mol.
Where can I buy RefChem:567115?
You can request a quote for RefChem:567115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567115?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.