[email protected]
CAS 1733-12-6 Cresol Red molecular structure lightbox
CAS RN: 1733-12-6

Cresol Red

Product Availability

Choose a grade to view its available package options.

13 package records12 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100g In stock Inquiry
Batchno.20260131 1g In stock Inquiry
Batchno.20250430 25g In stock Inquiry
Batchno.20260415 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 100ml In stock Inquiry
Batchno.20251221 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20260509 1kg Out of stock Inquiry
Batchno.20251127 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250807 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100g In stock Inquiry
Batchno.20251208 25g In stock Inquiry
Batchno.20260311 500g In stock Inquiry
  • Product code: ICTC0406
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

1733-12-6 / 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol

Standard CAS: 1733-12-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1733-12-6
Multi CAS
No
Molecular Formula
C21H18O5S
Molecular Weight
382.400000
Exact Mass
382.087495
SMILES
CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O
InChI
InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey
OBRMNDMBJQTZHV-UHFFFAOYSA-N

Physical Properties

Physical Description
Reddish-brown solid; [Merck Index] Reddish-brown or green odorless solid; [CHEMINFO] Crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.28
TPSA
83.83

LogP / Solubility

WLOGP
3.73
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (91.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us