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CAS 1035226-84-6 (S)-1-Boc-2-methyl-[1,4]diazepane molecular structure lightbox
CAS RN: 1035226-84-6

(S)-1-Boc-2-methyl-[1,4]diazepane

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260216 10g In stock Shanghai Inquiry
Batchno.20250911 1g In stock Shanghai Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
Batchno.20250508 5g In stock Shanghai Inquiry
  • Product code: SSC-005087
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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: ＞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 1035226-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1035226-84-6 / tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate

tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate | DTXSID40679416 | RefChem:382977

Standard CAS: 1035226-84-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035226-84-6
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
C[C@H]1CNCCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-9-8-12-6-5-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
FPUHWSHGYILARO-VIFPVBQESA-N
Synonyms
tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate DTXSID40679416 RefChem:382977 DTXCID60630165 962-669-3

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.89
TPSA
41.57

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.89

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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