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CAS 269078-75-3 (R)-FMOC-4-AMINO-6-METHYL-HEPTANOIC ACID molecular structure lightbox
CAS RN: 269078-75-3

(R)-FMOC-4-AMINO-6-METHYL-HEPTANOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-125330
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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: ≥99%
  • 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 269078-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥99% 0 Out of Stock Beijing Inquiry

269078-75-3 / (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylheptanoic acid

Standard CAS: 269078-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
269078-75-3
Multi CAS
No
Molecular Formula
C23H27NO4
Molecular Weight
381.500000
Exact Mass
381.194008
SMILES
CC(C)C[C@@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO4/c1-15(2)13-16(11-12-22(25)26)24-23(27)28-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKey
QVJHCXJPZXRVPE-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
108.32
TPSA
75.63

LogP / Solubility

WLOGP
4.8
MLOGP
4.25
XLogP3
4.7
Consensus LogP
4.58
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-1.64

Drug-likeness / Medicinal Chemistry

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

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