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CAS 1187933-06-7 tert-butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1187933-06-7

tert-butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018872
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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: 0.1g, 0.25g, 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 1187933-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1187933-06-7 / tert-butyl 1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate;hydrochloride

tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate hydrochloride | 5-Boc-octahydropyrrolo[3,4-c]pyridine Hydrochloride | MFCD12913817

Standard CAS: 1187933-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187933-06-7
Multi CAS
No
Molecular Formula
C12H23ClN2O2
Molecular Weight
262.770000
Exact Mass
262.144806
SMILES
CC(C)(C)OC(=O)N1CCC2CNCC2C1.Cl
InChI
InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-5-4-9-6-13-7-10(9)8-14;/h9-10,13H,4-8H2,1-3H3;1H
InChIKey
YSYTUDUBRMMISQ-UHFFFAOYSA-N
Synonyms
tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate hydrochloride 5-Boc-octahydropyrrolo[3,4-c]pyridine Hydrochloride MFCD12913817 tert-butyl octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride Octahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.52
TPSA
41.57

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1.88
Consensus LogP
1.81
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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