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CAS 37777-81-4 (5-METHYL-2-NITRO-PHENYL)-ACETIC ACID molecular structure lightbox
CAS RN: 37777-81-4

(5-METHYL-2-NITRO-PHENYL)-ACETIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 1g In stock Inquiry
Batchno.20250813 250mg In stock Inquiry
Batchno.20251025 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250728 5g In stock Inquiry
  • Product code: SSC-145216
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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: 1g, 0.1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 37777-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

37777-81-4 / 2-(5-methyl-2-nitrophenyl)acetic acid

Standard CAS: 37777-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37777-81-4
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
InChI
InChI=1S/C9H9NO4/c1-6-2-3-8(10(13)14)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
SKFYNOGBJGWWOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.17
TPSA
80.44

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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