J313.738D
TL;DR: J313.738D (CAS 47897-90-5) is a chemical compound with molecular formula C35H26N6O14S3 and molecular weight 850.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Also Known As: 4-({1-Hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)benzoic acid, 4-(2-{1-hydroxy-6-[({5-hydroxy-6-[2-(2-methyl-4-sulfophenyl)diazen-1-yl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazen-1-yl)benzoic acid, 4-[[1-Hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]benzoic acid
| Molecular Formula | C35H26N6O14S3 |
|---|---|
| Molecular Weight | 850.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 357.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 850.0669 |
| Heavy Atoms | 58 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 47897-90-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | PDOPSGYNSLDYQR-UHFFFAOYSA-N |
Product Overview
J313.738D (CAS 47897-90-5), with molecular formula C35H26N6O14S3 and molecular weight 850.07 g/mol. IUPAC: 4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid.
Chemical Property Profile of J313.738D
Property Insights of J313.738D
The XLogP value of 4.0 indicates that J313.738D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 357.0 Ų indicates high polarity, suggesting J313.738D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J313.738D has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J313.738D?
The CAS number of J313.738D is 47897-90-5.
What is the molecular formula of J313.738D?
The molecular formula of J313.738D is C35H26N6O14S3.
What is the molecular weight of J313.738D?
The molecular weight of J313.738D is 850.07 g/mol.
Where can I buy J313.738D?
You can request a quote for J313.738D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J313.738D?
Yes, KEHONG BIO provides custom synthesis services for J313.738D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.