[email protected]
CAS 134-47-4 6,6′-Ureylene-bis(1-naphthol-3-sulfonic acid) molecular structure lightbox
CAS RN: 134-47-4

6,6′-Ureylene-bis(1-naphthol-3-sulfonic acid)

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 100g In stock Inquiry
Batchno.20250605 1g In stock Inquiry
Batchno.20250626 1kg In stock Inquiry
Batchno.20250710 250mg In stock Inquiry
Batchno.20250809 25g In stock Inquiry
Batchno.20260217 500g In stock Inquiry
Batchno.20260615 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 1ml In stock Inquiry
  • Product code: starshine_CAS134-47-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

134-47-4 / 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid

Standard CAS: 134-47-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134-47-4
Multi CAS
No
Molecular Formula
C21H16N2O9S2
Molecular Weight
504.500000
Exact Mass
504.029722
SMILES
C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)
InChIKey
PCGISRHGYLRXSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
6
Molar refractivity
123.5
TPSA
190.33

LogP / Solubility

WLOGP
3.54
MLOGP
3.15
XLogP3
1.8
Consensus LogP
2.83
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 111 of 114 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us