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CAS 98642-44-5 tert-butyl 3-hydroxypropylmethylcarbamate molecular structure lightbox
CAS RN: 98642-44-5

tert-butyl 3-hydroxypropylmethylcarbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-212791
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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: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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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 98642-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 4 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Beijing Inquiry
1000g >97% 0 Out of Stock Shenzhen Inquiry

98642-44-5 / tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate

Standard CAS: 98642-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98642-44-5
Multi CAS
Yes
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3
InChIKey
GJGLBUZZTLPCOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.57
TPSA
49.77

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3

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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