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CAS 1027512-23-7 1-(tert-butoxycarbonyl)-4-Methylazepane-4-carboxylic acid molecular structure lightbox
CAS RN: 1027512-23-7

1-(tert-butoxycarbonyl)-4-Methylazepane-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-004086
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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 1027512-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1027512-23-7 / 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid

1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylic acid | 1-Boc-4-methylazepane-4-carboxylic acid | MFCD10687157

Standard CAS: 1027512-23-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027512-23-7
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC1(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-5-6-13(4,7-9-14)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKey
FUDNGUAYMRYCCT-UHFFFAOYSA-N
Synonyms
1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylic acid 1-Boc-4-methylazepane-4-carboxylic acid MFCD10687157 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid 1-[(tert-butoxy)carbonyl]-4-methylazepane-4-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.4
TPSA
66.84

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
1.8
Consensus LogP
2.17
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

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