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CAS 6153-39-5 5-Methylresorcinol Monohydrate molecular structure lightbox
CAS RN: 6153-39-5

5-Methylresorcinol Monohydrate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251207 10g In stock Shanghai Inquiry
Batchno.20250719 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250909 500g In stock Shanghai Inquiry
Batchno.20260225 5g In stock Shanghai, Chengdu Inquiry
  • Product code: ICTM0426
  • Purity/Analytical Methods: >98.0%(GC)
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6153-39-5 / 5-methylbenzene-1,3-diol;hydrate

Standard CAS: 6153-39-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6153-39-5
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2
InChIKey
NBKPNAMTHBIMLA-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid that reddens on exposure to air; [Merck Index] Crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.12
TPSA
71.96

LogP / Solubility

WLOGP
0.58
MLOGP
0.5
XLogP3
0.58
Consensus LogP
0.55
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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