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CAS 1184174-08-0 1-(tert-butyl) 3-methyl (S)-3-methoxypyrrolidine-1,3-dicarboxylate molecular structure lightbox
CAS RN: 1184174-08-0

1-(tert-butyl) 3-methyl (S)-3-methoxypyrrolidine-1,3-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-018180
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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 1184174-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1184174-08-0 / 1-O-tert-butyl 3-O-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate

(S)-1-tert-Butyl 3-methyl 3-methoxypyrrolidine-1,3-dicarboxylate | MFCD28502671 | 1-tert-butyl 3-methyl (3s)-3-methoxypyrrolidine-1,3-dicarboxylate

Standard CAS: 1184174-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1184174-08-0
Multi CAS
Yes
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CC(C)(C)OC(=O)N1CC[C@](C1)(C(=O)OC)OC
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-6-12(8-13,17-5)9(14)16-4/h6-8H2,1-5H3/t12-/m0/s1
InChIKey
JMROZMSABTZUTD-LBPRGKRZSA-N
Synonyms
(S)-1-tert-Butyl 3-methyl 3-methoxypyrrolidine-1,3-dicarboxylate MFCD28502671 1-tert-butyl 3-methyl (3s)-3-methoxypyrrolidine-1,3-dicarboxylate O1-tert-butyl O3-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate 1-O-tert-butyl 3-O-methyl (3S)-3-methoxypyrrolidine-1,3-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
64.18
TPSA
65.07

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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