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CAS 1176270-25-9 Fmoc-D-Orn(N3)-OH molecular structure lightbox
CAS RN: 1176270-25-9

Fmoc-D-Orn(N3)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1176270-25-9
  • Purity/Analytical Methods: >99.0%
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1176270-25-9 / (2R)-5-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

Fmoc-d-Orn(N3)-OH | Nalpha-Fmoc-Ndelta-Azido-D-Ornithine | MFCD18427302

Standard CAS: 1176270-25-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1176270-25-9
Multi CAS
Yes
Molecular Formula
C20H20N4O4
Molecular Weight
380.400000
Exact Mass
380.148455
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C20H20N4O4/c21-24-22-11-5-10-18(19(25)26)23-20(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,23,27)(H,25,26)/t18-/m1/s1
InChIKey
TVPIDQLSARDIPX-GOSISDBHSA-N
Synonyms
Fmoc-d-Orn(N3)-OH Nalpha-Fmoc-Ndelta-Azido-D-Ornithine MFCD18427302 (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-azidopentanoic acid (R)-Fmoc-2-amino-5-azido-pentanoic acid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.88
TPSA
124.39

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
4.3
Consensus LogP
3.99
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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