EINECS 306-838-6
TL;DR: EINECS 306-838-6 (CAS 97416-89-2) is a chemical compound with molecular formula C34H34N2O8S2 and molecular weight 662.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[4-(benzenesulfonyloxy)butan-2-ylamino]-9,10-dioxoanthracen-1-yl]amino]butyl benzenesulfonate
Also Known As: ((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)bis(imino(3-methylpropane-1,3-diyl)))bis(benzenesulphonic) acid, 1,4-bis[4-(benzenesulfonyloxy)butan-2-ylamino]anthracene-9,10-dione, [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis[imino(3-methylpropane-1,3-diyl)]]bis(benzenesulphonic) acid, [(9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl)butane-3,1-diyl] dibenzenesulfonate, 3-[[4-[4-(benzenesulfonyloxy)butan-2-ylamino]-9,10-dioxoanthracen-1-yl]amino]butyl benzenesulfonate
| Molecular Formula | C34H34N2O8S2 |
|---|---|
| Molecular Weight | 662.18 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 662.17566 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 97416-89-2 |
|---|---|
| SMILES | CC(CCOS(=O)(=O)C1=CC=CC=C1)NC2=C3C(=C(C=C2)NC(C)CCOS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O |
| InChIKey | BJGLTAKAJLZVQF-UHFFFAOYSA-N |
Product Overview
EINECS 306-838-6 (CAS 97416-89-2), with molecular formula C34H34N2O8S2 and molecular weight 662.18 g/mol. IUPAC: 3-[[4-[4-(benzenesulfonyloxy)butan-2-ylamino]-9,10-dioxoanthracen-1-yl]amino]butyl benzenesulfonate.
Chemical Property Profile of EINECS 306-838-6
Property Insights of EINECS 306-838-6
The XLogP value of 7.5 indicates that EINECS 306-838-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting EINECS 306-838-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 306-838-6 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 306-838-6?
The CAS number of EINECS 306-838-6 is 97416-89-2.
What is the molecular formula of EINECS 306-838-6?
The molecular formula of EINECS 306-838-6 is C34H34N2O8S2.
What is the molecular weight of EINECS 306-838-6?
The molecular weight of EINECS 306-838-6 is 662.18 g/mol.
Where can I buy EINECS 306-838-6?
You can request a quote for EINECS 306-838-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 306-838-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 306-838-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.