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CAS 98105-41-0 BOC-3-CYCLOHEXYL-L-ALANINE METHYL ESTER molecular structure lightbox
CAS RN: 98105-41-0

BOC-3-CYCLOHEXYL-L-ALANINE METHYL ESTER

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250730 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250129 1g / 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20250317 25g Out of stock Inquiry
Batchno.20250529 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-212541
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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: 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 98105-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

98105-41-0 / methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 98105-41-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98105-41-0
Multi CAS
Yes
Molecular Formula
C15H27NO4
Molecular Weight
285.380000
Exact Mass
285.194008
InChI
InChI=1S/C15H27NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKey
FALUXMVPGFKLAM-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.37
TPSA
64.63

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
4
Consensus LogP
3.23
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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