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CAS 1072901-59-7 FMOC-3-AMINO-4-METHYLBENZOIC ACID molecular structure lightbox
CAS RN: 1072901-59-7

FMOC-3-AMINO-4-METHYLBENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 25mg Out of stock 15 business days Inquiry
  • Product code: SSC-008754
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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: 5g
  • 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 1072901-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1072901-59-7 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylbenzoic acid

Fmoc-3-amino-4-methylbenzoic acid | MFCD01861379 | 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylbenzoic acid

Standard CAS: 1072901-59-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072901-59-7
Multi CAS
Yes
Molecular Formula
C23H19NO4
Molecular Weight
373.400000
Exact Mass
373.131408
SMILES
CC1=C(C=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H19NO4/c1-14-10-11-15(22(25)26)12-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
MNLLXICLNDZTOF-UHFFFAOYSA-N
Synonyms
Fmoc-3-amino-4-methylbenzoic acid MFCD01861379 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylbenzoic acid 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylbenzoic acid 3-(Fmoc-amino)-4-methylbenzoic Acid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.83
TPSA
75.63

LogP / Solubility

WLOGP
5.05
MLOGP
4.47
XLogP3
4.5
Consensus LogP
4.67
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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