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CAS 1821832-97-6 (2R)-2-(Fmoc-amino)dodecanoic acid molecular structure lightbox
CAS RN: 1821832-97-6

(2R)-2-(Fmoc-amino)dodecanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-083211
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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 1821832-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1821832-97-6 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid

Standard CAS: 1821832-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821832-97-6
Multi CAS
No
Molecular Formula
C27H35NO4
Molecular Weight
437.600000
Exact Mass
437.256609
SMILES
CCCCCCCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H35NO4/c1-2-3-4-5-6-7-8-9-18-25(26(29)30)28-27(31)32-19-24-22-16-12-10-14-20(22)21-15-11-13-17-23(21)24/h10-17,24-25H,2-9,18-19H2,1H3,(H,28,31)(H,29,30)/t25-/m1/s1
InChIKey
ZKMKLCPVASBFKI-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
2
Molar refractivity
126.86
TPSA
75.63

LogP / Solubility

WLOGP
6.51
MLOGP
5.76
XLogP3
7.7
Consensus LogP
6.66
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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