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CAS 155290-47-4 2-(2′-N-BOC-HYDRAZINO)BENZOIC ACID molecular structure lightbox
CAS RN: 155290-47-4

2-(2′-N-BOC-HYDRAZINO)BENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-064586
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 155290-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

155290-47-4 / 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid

Standard CAS: 155290-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155290-47-4
Multi CAS
No
Molecular Formula
C12H16N2O4
Molecular Weight
252.270000
Exact Mass
252.111007
SMILES
CC(C)(C)OC(=O)NNC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-13-9-7-5-4-6-8(9)10(15)16/h4-7,13H,1-3H3,(H,14,17)(H,15,16)
InChIKey
DTTSVUPYGSOJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.39
TPSA
87.66

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.9
Consensus LogP
2.37
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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