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CAS 88132-51-8 methyl 5-hydroxy-2-methyl-3-nitrobenzoate molecular structure lightbox
CAS RN: 88132-51-8

methyl 5-hydroxy-2-methyl-3-nitrobenzoate

  • Product code: SSC-198605
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 88132-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Beijing Inquiry

88132-51-8 / methyl 5-hydroxy-2-methyl-3-nitrobenzoate

Standard CAS: 88132-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88132-51-8
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
InChI
InChI=1S/C9H9NO5/c1-5-7(9(12)15-2)3-6(11)4-8(5)10(13)14/h3-4,11H,1-2H3
InChIKey
FDEBUJNUWWJENQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.84
TPSA
89.67

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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