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CAS 669713-61-5 2-[(BOC-AMINO)METHYL]BENZOIC ACID molecular structure lightbox
CAS RN: 669713-61-5

2-[(BOC-AMINO)METHYL]BENZOIC ACID

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250127 1g In stock Inquiry
Batchno.20250722 250mg Out of stock Inquiry
  • Product code: SSC-176618
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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: >97%
  • 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 669713-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

669713-61-5 / 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid

Standard CAS: 669713-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
669713-61-5
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-6-4-5-7-10(9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
FAZMFLNCRFKVDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.48
TPSA
75.63

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

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

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