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CAS 616867-28-8 (R)-N-FMOC-alpha-Methylvaline, 98% ee molecular structure lightbox
CAS RN: 616867-28-8

(R)-N-FMOC-alpha-Methylvaline, 98% ee

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-170619
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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 616867-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

616867-28-8 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylbutanoic acid

Standard CAS: 616867-28-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
616867-28-8
Multi CAS
Yes
Molecular Formula
C21H23NO4
Molecular Weight
353.400000
Exact Mass
353.162708
InChI
InChI=1S/C21H23NO4/c1-13(2)21(3,19(23)24)22-20(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)/t21-/m1/s1
InChIKey
AWEZXIRZNQCCNN-OAQYLSRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.08
TPSA
75.63

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4.2
Consensus LogP
3.93
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

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