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CAS 2100306-78-1 t-Butyl 3-(hydroxypropoxyl)-propanoate molecular structure lightbox
CAS RN: 2100306-78-1

t-Butyl 3-(hydroxypropoxyl)-propanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-099879
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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: 5g, 0.25g, 1g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2100306-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

2100306-78-1 / tert-butyl 3-(3-hydroxypropoxy)propanoate

Standard CAS: 2100306-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-78-1
Multi CAS
No
Molecular Formula
C10H20O4
Molecular Weight
204.260000
Exact Mass
204.136159
SMILES
CC(C)(C)OC(=O)CCOCCCO
InChI
InChI=1S/C10H20O4/c1-10(2,3)14-9(12)5-8-13-7-4-6-11/h11H,4-8H2,1-3H3
InChIKey
NFYYXORESKNQKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.98
TPSA
55.76

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.6
Consensus LogP
0.9
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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