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CAS 214629-97-7 BOC-ORN-OTBU HCL molecular structure lightbox
CAS RN: 214629-97-7

BOC-ORN-OTBU HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-102915
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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 214629-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

214629-97-7 / tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;hydrochloride

Standard CAS: 214629-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214629-97-7
Multi CAS
No
Molecular Formula
C14H29ClN2O4
Molecular Weight
324.840000
Exact Mass
324.181585
SMILES
CC(C)(C)OC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C14H28N2O4.ClH/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6;/h10H,7-9,15H2,1-6H3,(H,16,18);1H/t10-;/m0./s1
InChIKey
QAOZFDDKCLTTAV-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.54
TPSA
90.65

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly 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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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