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CAS 1229627-05-7 1-(Boc-aMino)-3-(isopropylaMino)propane molecular structure lightbox
CAS RN: 1229627-05-7

1-(Boc-aMino)-3-(isopropylaMino)propane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026664
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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, 5g
  • 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 1229627-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1229627-05-7 / tert-butyl N-[3-(propan-2-ylamino)propyl]carbamate

Standard CAS: 1229627-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1229627-05-7
Multi CAS
No
Molecular Formula
C11H24N2O2
Molecular Weight
216.320000
Exact Mass
216.183778
SMILES
CC(C)NCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H24N2O2/c1-9(2)12-7-6-8-13-10(14)15-11(3,4)5/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKey
SFFZEOKALAZPET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.99
TPSA
50.36

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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