EINECS 263-439-9
TL;DR: EINECS 263-439-9 (CAS 62155-80-0) is a chemical compound with molecular formula C23H19N3O7S and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]anilino]propanoic acid
Also Known As: EINECS 263-439-9, n-[4-[amino]phenyl]-beta-alanine, N-[4-[ amino]phenyl]-beta-alanine, N-(4-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulphoanthracen-1-yl)amino)phenyl)-beta-alanine, 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]anilino]propanoic acid
| Molecular Formula | C23H19N3O7S |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 2.9211 |
| Topological Polar Surface Area | 175.89 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.09436 |
| Heavy Atoms | 34 |
| Complexity | 1448.1307 |
Chemical Identifiers
| CAS Number | 62155-80-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)NCCC(=O)O)S(=O)(=O)O)N |
Product Overview
EINECS 263-439-9 (CAS 62155-80-0), with molecular formula C23H19N3O7S and molecular weight 481.09 g/mol. IUPAC: 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]anilino]propanoic acid.
Chemical Property Profile of EINECS 263-439-9
Property Insights of EINECS 263-439-9
The XLogP value of 2.9211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 263-439-9. The TPSA of 175.89 Ų indicates high polarity, suggesting EINECS 263-439-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 263-439-9 has 5 hydrogen bond donor(s) and 8 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 263-439-9?
The CAS number of EINECS 263-439-9 is 62155-80-0.
What is the molecular formula of EINECS 263-439-9?
The molecular formula of EINECS 263-439-9 is C23H19N3O7S.
What is the molecular weight of EINECS 263-439-9?
The molecular weight of EINECS 263-439-9 is 481.09 g/mol.
Where can I buy EINECS 263-439-9?
You can request a quote for EINECS 263-439-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 263-439-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 263-439-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.