SID:134222091
TL;DR: SID:134222091 (CAS 389142-38-5) is a chemical compound with molecular formula C41H32N6O29S8 and molecular weight 1327.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SID:134222091
4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid
Also Known As: nf449, NF449 octasodium salt, Lopac0_000867, NF 449, HSCI1_000296
| Molecular Formula | C41H32N6O29S8 |
|---|---|
| Molecular Weight | 1327.90 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 660.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 18 |
| Exact Mass | 1327.898 |
| Heavy Atoms | 84 |
| Complexity | 2990.0 |
Chemical Identifiers
| CAS Number | 389142-38-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC6=C(C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FXAIVMYRMNONEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SID:134222091 (CAS 389142-38-5), with molecular formula C41H32N6O29S8 and molecular weight 1327.90 g/mol. IUPAC: 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid.
Chemical Property Profile of SID:134222091
Property Insights of SID:134222091
The XLogP value of -2.0 indicates that SID:134222091 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 660.0 Ų indicates high polarity, suggesting SID:134222091 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SID:134222091 has 14 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SID:134222091?
The CAS number of SID:134222091 is 389142-38-5.
What is the molecular formula of SID:134222091?
The molecular formula of SID:134222091 is C41H32N6O29S8.
What is the molecular weight of SID:134222091?
The molecular weight of SID:134222091 is 1327.90 g/mol.
Where can I buy SID:134222091?
You can request a quote for SID:134222091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SID:134222091?
Yes, KEHONG BIO provides custom synthesis services for SID:134222091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.