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CAS 62965-37-1 Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate molecular structure lightbox
CAS RN: 62965-37-1

Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-172410
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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: 25g
  • Available purity: ≥97%
  • 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 62965-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

62965-37-1 / N-cyclohexylcyclohexanamine;(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 62965-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62965-37-1
Multi CAS
Yes
Molecular Formula
C26H42N2O4
Molecular Weight
446.600000
Exact Mass
446.314458
InChI
InChI=1S/C14H19NO4.C12H23N/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2/t11-;/m1./s1
InChIKey
ZZVHEFCADXTNTP-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
127.52
TPSA
87.66

LogP / Solubility

WLOGP
5.65
MLOGP
5
XLogP3
5.65
Consensus LogP
5.43
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.43

Drug-likeness / Medicinal Chemistry

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

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