![CAS 62625-29-0 Cresol Red (0.04% in Water) [for pH Determination] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c0407-jpgcontextbwfzdgvyfhjvb3r8mzy1mtr8aw1hz2uvanblz3xomzyvadgylzg5mjkyodcxndm0ntqvqza0mdcuanbnfgm1n2e2ntdkyjy0zda0yji1nda5zjzhzgy1ntvimgq5mzkxodnhntqyzmrintczmthkzgrhyzkxowjhnwm3ogy.jpeg)
CAS RN: 62625-29-0
Cresol Red (0.04% in Water) [for pH Determination]
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251112 | 25g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251109 | 500g | In stock | Tianjin | Inquiry |
| Batchno.20250113 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: ICTC0407
62625-29-0 / 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol
Basic Information
CAS
62625-29-0
Multi CAS
Yes
Molecular Formula
C21H18O5S
Molecular Weight
382.400000
Exact Mass
382.087495
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
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