[email protected]
CAS 1313279-47-8 Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1313279-47-8

Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251225 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250223 10g Out of stock Inquiry
Batchno.20260119 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260327 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260412 5g Out of stock Inquiry
  • Product code: SSC-038126
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1313279-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

1313279-47-8 / tert-butyl N-[4-(cyanomethyl)cyclohexyl]carbamate

Standard CAS: 1313279-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1313279-47-8
Multi CAS
No
Molecular Formula
C13H22N2O2
Molecular Weight
238.330000
Exact Mass
238.168128
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CC#N
InChI
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-11-6-4-10(5-7-11)8-9-14/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKey
FIWFOACIVWBZSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.35
TPSA
62.12

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.1
Consensus LogP
2.57
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us