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CAS 117375-15-2 1H-Pyrrolizine-7a(5H)-carboxylicacid,tetrahydro-,methylester(9CI) molecular structure lightbox
CAS RN: 117375-15-2

1H-Pyrrolizine-7a(5H)-carboxylicacid,tetrahydro-,methylester(9CI)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 100mg In stock Shanghai Inquiry
Batchno.20251205 1g In stock Shanghai Inquiry
Batchno.20250504 250mg In stock Shanghai Inquiry
Batchno.20260526 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260130 5g In stock Shanghai Inquiry
  • Product code: SSC-017212
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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 117375-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117375-15-2 / methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

Methyl hexahydro-1H-pyrrolizine-7a-carboxylate | Methyl tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate | MFCD10699450

Standard CAS: 117375-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117375-15-2
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
COC(=O)C12CCCN1CCC2
InChI
InChI=1S/C9H15NO2/c1-12-8(11)9-4-2-6-10(9)7-3-5-9/h2-7H2,1H3
InChIKey
HBZKVVLPFLBBNV-UHFFFAOYSA-N
Synonyms
Methyl hexahydro-1H-pyrrolizine-7a-carboxylate Methyl tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate MFCD10699450 methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate NSC697383

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.79
TPSA
29.54

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
1
Consensus LogP
0.83
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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