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CAS 1217631-35-0 S-2-N-BOC-propane-1,2-diamine hydrochloride molecular structure lightbox
CAS RN: 1217631-35-0

S-2-N-BOC-propane-1,2-diamine hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-024453
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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, 5g, 10g
  • 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 1217631-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1217631-35-0 / tert-butyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride

Standard CAS: 1217631-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217631-35-0
Multi CAS
No
Molecular Formula
C8H19ClN2O2
Molecular Weight
210.700000
Exact Mass
210.113506
SMILES
C[C@H](CN)NC(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C8H18N2O2.ClH/c1-6(5-9)10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKey
CNHXWWFZXWRQAK-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.13
TPSA
64.35

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

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