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CAS 877858-16-7 4-(BOC-AMINO)METHYL-3-METHYL-BENZOIC ACID molecular structure lightbox
CAS RN: 877858-16-7

4-(BOC-AMINO)METHYL-3-METHYL-BENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-198063
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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 877858-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

877858-16-7 / 3-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid

Standard CAS: 877858-16-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877858-16-7
Multi CAS
Yes
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
InChI
InChI=1S/C14H19NO4/c1-9-7-10(12(16)17)5-6-11(9)8-15-13(18)19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
MFSXNPUVPYWTBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.21
TPSA
75.63

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.3
Consensus LogP
2.47
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.41

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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