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CAS 118811-34-0 TERT-BUTYL N-[5-(TOSYLOXY)PENTYL]CARBAMATE molecular structure lightbox
CAS RN: 118811-34-0

TERT-BUTYL N-[5-(TOSYLOXY)PENTYL]CARBAMATE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260118 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250304 25g Out of stock Inquiry
Batchno.20250708 5g In stock Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-018973
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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: ＞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 118811-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

118811-34-0 / 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 4-methylbenzenesulfonate

5-(t-Boc-amino)-1-pentyl-p-toluenesulfonate | 5-((TERT-BUTOXYCARBONYL)AMINO)PENTYL 4-METHYLBENZENESULFONATE | Carbamic acid,[5-[[(4-methylphenyl)sulfonyl]oxy]pentyl]-, 1,1-dimethylethyl ester (9CI)

Standard CAS: 118811-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118811-34-0
Multi CAS
No
Molecular Formula
C17H27NO5S
Molecular Weight
357.500000
Exact Mass
357.160994
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H27NO5S/c1-14-8-10-15(11-9-14)24(20,21)22-13-7-5-6-12-18-16(19)23-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,18,19)
InChIKey
RAOOQXZPVIXTHJ-UHFFFAOYSA-N
Synonyms
5-(t-Boc-amino)-1-pentyl-p-toluenesulfonate 5-((TERT-BUTOXYCARBONYL)AMINO)PENTYL 4-METHYLBENZENESULFONATE Carbamic acid,[5-[[(4-methylphenyl)sulfonyl]oxy]pentyl]-, 1,1-dimethylethyl ester (9CI) MFCD07776967 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 4-methylbenzenesulfonate

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.4
TPSA
81.7

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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