RefChem:132811
TL;DR: RefChem:132811 (CAS 72379-52-3) is a chemical compound with molecular formula C38H25N4NaO6S2 and molecular weight 720.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 10,16-dianilino-13-phenyl-2-aza-13-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene-8,18-disulfonate
Also Known As: Dibenzo(a,j)phenazinium, 7-phenyl-5,9-bis(phenylamino)-4,10-disulfo-, inner salt, monosodium salt, Dibenzo(a,j)phenazinium, 7-phenyl-5,9-bis(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:1), Dibenzo[a,j]phenazinium, 7-phenyl-5,9-bis(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:1), Sodio-5,9-dianilino-7-phenyl-4,10-disulphonatodibenzo(a,j)phenazinium, Sodio-5,9-dianilino-7-phenyl-4,10-disulphonatodibenzo[a,j]phenazinium
| Molecular Formula | C38H25N4NaO6S2 |
|---|---|
| Molecular Weight | 720.11 g/mol |
| LogP | 4.2705 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 720.1113 |
| Heavy Atoms | 51 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 72379-52-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C4=C2C(=CC=C4)S(=O)(=O)[O-])N=C5C6=C(C(=CC=C6)S(=O)(=O)[O-])C(=CC5=[N+]3C7=CC=CC=C7)NC8=CC=CC=C8.[Na+] |
| InChIKey | CPVWHNNASBZXKB-UHFFFAOYSA-M |
Product Overview
RefChem:132811 (CAS 72379-52-3), with molecular formula C38H25N4NaO6S2 and molecular weight 720.11 g/mol. IUPAC: sodium 10,16-dianilino-13-phenyl-2-aza-13-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene-8,18-disulfonate.
Chemical Property Profile of RefChem:132811
Property Insights of RefChem:132811
The XLogP value of 4.2705 indicates that RefChem:132811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting RefChem:132811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:132811 has 2 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:132811?
The CAS number of RefChem:132811 is 72379-52-3.
What is the molecular formula of RefChem:132811?
The molecular formula of RefChem:132811 is C38H25N4NaO6S2.
What is the molecular weight of RefChem:132811?
The molecular weight of RefChem:132811 is 720.11 g/mol.
Where can I buy RefChem:132811?
You can request a quote for RefChem:132811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:132811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:132811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.