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CAS 268731-07-3 FMOC-D-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 268731-07-3

FMOC-D-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-125237
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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: 0.1g, 0.25g, 1g, 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 268731-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

268731-07-3 / 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Standard CAS: 268731-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268731-07-3
Multi CAS
No
Molecular Formula
C27H22N2O4
Molecular Weight
438.500000
Exact Mass
438.157957
SMILES
C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)
InChIKey
IHHULIKSMJSELI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
124.04
TPSA
82.63

LogP / Solubility

WLOGP
4.93
MLOGP
4.37
XLogP3
4.6
Consensus LogP
4.63
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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