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CAS 817183-33-8 1-(Boc-L-tert-leucinyl)-(4S)-4-hydroxy-L-proline molecular structure lightbox
CAS RN: 817183-33-8

1-(Boc-L-tert-leucinyl)-(4S)-4-hydroxy-L-proline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-190077
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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: ＞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 817183-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

817183-33-8 / 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Standard CAS: 817183-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
817183-33-8
Multi CAS
Yes
Molecular Formula
C16H28N2O6
Molecular Weight
344.400000
Exact Mass
344.194737
InChI
InChI=1S/C16H28N2O6/c1-15(2,3)11(17-14(23)24-16(4,5)6)12(20)18-8-9(19)7-10(18)13(21)22/h9-11,19H,7-8H2,1-6H3,(H,17,23)(H,21,22)/t9-,10-,11+/m0/s1
InChIKey
XYXBVELFAOEJDK-GARJFASQSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.37
TPSA
116.17

LogP / Solubility

WLOGP
0.97
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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