RefChem:113040
TL;DR: RefChem:113040 (CAS 1332-86-1) is a chemical compound with molecular formula C31H13Cl2NNa2O9S2 and molecular weight 722.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(18,19-dichloro-27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21,23,25,28(32),29-pentadecaen-13-yl) sulfate
Also Known As: Anthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one, dichloro-10,15-bis(sulfooxy)-, disodium salt, Anthra(2,1,9:mna)naphth(2,3-h)acridine, dichloro-5,16-dihydro-5-oxo-10,15-disulfoxy-, disodium salt, Anthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one, dichloro-10,15-bis(sulfooxy)-, sodium salt (1:2), Anthra[2,1,9-mna]naphth[2,3-h]acridin-5(16H)-one, dichloro-10,15-bis(sulfooxy)-, disodium salt, Anthra[2,1,9-mna]naphth[2,3-h]acridin-5(16H)-one, dichloro-10,15-bis(sulfooxy)-, sodium salt (1:2)
| Molecular Formula | C31H13Cl2NNa2O9S2 |
|---|---|
| Molecular Weight | 722.92 g/mol |
| LogP | 0.8779 |
| Topological Polar Surface Area | 165.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 722.9204 |
| Heavy Atoms | 47 |
| Complexity | 2936.0854 |
Chemical Identifiers
| CAS Number | 1332-86-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(=C4C5=C(C=CC(=C53)C2=O)C6=C(N4)C7=C(C8=CC=CC=C8C(=C7C=C6)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)Cl.[Na+].[Na+] |
Product Overview
RefChem:113040 (CAS 1332-86-1), with molecular formula C31H13Cl2NNa2O9S2 and molecular weight 722.92 g/mol. IUPAC: disodium;(18,19-dichloro-27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21,23,25,28(32),29-pentadecaen-13-yl) sulfate.
Chemical Property Profile of RefChem:113040
Property Insights of RefChem:113040
The XLogP value of 0.8779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:113040. The TPSA of 165.72 Ų indicates high polarity, suggesting RefChem:113040 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:113040 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:113040?
The CAS number of RefChem:113040 is 1332-86-1.
What is the molecular formula of RefChem:113040?
The molecular formula of RefChem:113040 is C31H13Cl2NNa2O9S2.
What is the molecular weight of RefChem:113040?
The molecular weight of RefChem:113040 is 722.92 g/mol.
Where can I buy RefChem:113040?
You can request a quote for RefChem:113040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:113040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:113040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.