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CAS 817183-32-7 L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-4-hydroxy-, methyl ester, (4S)- molecular structure lightbox
CAS RN: 817183-32-7

L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-4-hydroxy-, methyl ester, (4S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-190076
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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 817183-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

817183-32-7 / methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylate

Standard CAS: 817183-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
817183-32-7
Multi CAS
Yes
Molecular Formula
C17H30N2O6
Molecular Weight
358.400000
Exact Mass
358.210387
InChI
InChI=1S/C17H30N2O6/c1-16(2,3)12(18-15(23)25-17(4,5)6)13(21)19-9-10(20)8-11(19)14(22)24-7/h10-12,20H,8-9H2,1-7H3,(H,18,23)/t10-,11-,12+/m0/s1
InChIKey
YJSDCJXQCWZQGU-SDDRHHMPSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.75
TPSA
105.17

LogP / Solubility

WLOGP
1.06
MLOGP
0.95
XLogP3
1.7
Consensus LogP
1.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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