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CAS 178918-29-1 Carbamic acid, (2-furanylmethyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 178918-29-1

Carbamic acid, (2-furanylmethyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-079688
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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 178918-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

178918-29-1 / tert-butyl N-(furan-2-ylmethyl)carbamate

Standard CAS: 178918-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178918-29-1
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
CC(C)(C)OC(=O)NCC1=CC=CO1
InChI
InChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-7-8-5-4-6-13-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKey
RRUDWSJNJRPUAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.78
TPSA
51.47

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.5
Consensus LogP
1.94
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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