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CAS 159303-54-5 METHYL (3S,6S,8AS)-6-[(TERT-BUTOXYCARBONYL)AMINO]-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 159303-54-5

METHYL (3S,6S,8AS)-6-[(TERT-BUTOXYCARBONYL)AMINO]-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-067306
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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: 0.25g
  • 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 159303-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

159303-54-5 / methyl (3S,6S,8aS)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate

Standard CAS: 159303-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159303-54-5
Multi CAS
No
Molecular Formula
C15H24N2O5
Molecular Weight
312.360000
Exact Mass
312.168522
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)OC
InChI
InChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-10-7-5-9-6-8-11(13(19)21-4)17(9)12(10)18/h9-11H,5-8H2,1-4H3,(H,16,20)/t9-,10-,11-/m0/s1
InChIKey
RBDIIUAKDGDILT-DCAQKATOSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.06
TPSA
84.94

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-3.77

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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