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CAS 1485525-63-0 N-Boc-cis-4-azido-L-proline (dicyclohexylammonium) salt molecular structure lightbox
CAS RN: 1485525-63-0

N-Boc-cis-4-azido-L-proline (dicyclohexylammonium) salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1485525-63-0
  • Purity/Analytical Methods: >99.0%
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1485525-63-0 / (2S,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N-cyclohexylcyclohexanamine

Standard CAS: 1485525-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1485525-63-0
Multi CAS
No
Molecular Formula
C22H39N5O4
Molecular Weight
437.600000
Exact Mass
437.300205
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)N=[N+]=[N-].C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C10H16N4O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)18-9(17)14-5-6(12-13-11)4-7(14)8(15)16/h11-13H,1-10H2;6-7H,4-5H2,1-3H3,(H,15,16)/t;6-,7-/m.0/s1
InChIKey
XYLCLQGQCINCLJ-BLOLRMMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.8
TPSA
127.63

LogP / Solubility

WLOGP
5
MLOGP
4.43
XLogP3
5
Consensus LogP
4.81
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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