EINECS 302-468-4
TL;DR: EINECS 302-468-4 (CAS 94109-29-2) is a chemical compound with molecular formula C28H21N3O6 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[8-amino-5-hydroxy-9,10-dioxo-4-(4-phenoxyanilino)anthracen-1-yl]carbamate
Also Known As: EINECS 302-468-4, Methyl (8-amino-9,10-dihydro-5-hydroxy-9,10-dioxo-4-((4-phenoxyphenyl)amino)-1-anthryl)carbamate, Carbamic acid, (8-amino-9,10-dihydro-5-hydroxy-9,10-dioxo-4-((4-phenoxyphenyl)amino)-1-anthracenyl)-, methyl ester, Carbamic acid, [8-amino-9,10-dihydro-5-hydroxy-9,10-dioxo-4-[(4-phenoxyphenyl)amino]-1-anthracenyl]-, methyl ester, methyl N-[8-amino-5-hydroxy-9,10-dioxo-4-(4-phenoxyanilino)anthracen-1-yl]carbamate
| Molecular Formula | C28H21N3O6 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.464 |
| Topological Polar Surface Area | 139.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.14304 |
| Heavy Atoms | 37 |
| Complexity | 1548.9386 |
Chemical Identifiers
| CAS Number | 94109-29-2 |
|---|---|
| SMILES | COC(=O)NC1=C2C(=C(C=C1)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C2=O)N)O |
Product Overview
EINECS 302-468-4 (CAS 94109-29-2), with molecular formula C28H21N3O6 and molecular weight 495.14 g/mol. IUPAC: methyl N-[8-amino-5-hydroxy-9,10-dioxo-4-(4-phenoxyanilino)anthracen-1-yl]carbamate.
Chemical Property Profile of EINECS 302-468-4
Property Insights of EINECS 302-468-4
The XLogP value of 5.464 indicates that EINECS 302-468-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.98 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 302-468-4. Following Lipinski's Rule of Five, EINECS 302-468-4 has 4 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 302-468-4?
The CAS number of EINECS 302-468-4 is 94109-29-2.
What is the molecular formula of EINECS 302-468-4?
The molecular formula of EINECS 302-468-4 is C28H21N3O6.
What is the molecular weight of EINECS 302-468-4?
The molecular weight of EINECS 302-468-4 is 495.14 g/mol.
Where can I buy EINECS 302-468-4?
You can request a quote for EINECS 302-468-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 302-468-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 302-468-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.