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CAS 127175-62-6 Carbonic acid, C,C’-1,4-phenylene C,C’-bis(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 127175-62-6

Carbonic acid, C,C’-1,4-phenylene C,C’-bis(1,1-dimethylethyl) ester

  • Product code: SSC-034680
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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: 0.1g, 0.25g, 1g
  • 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 127175-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

127175-62-6 / tert-butyl [4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl] carbonate

Standard CAS: 127175-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127175-62-6
Multi CAS
No
Molecular Formula
C16H22O6
Molecular Weight
310.340000
Exact Mass
310.141638
SMILES
CC(C)(C)OC(=O)OC1=CC=C(C=C1)OC(=O)OC(C)(C)C
InChI
InChI=1S/C16H22O6/c1-15(2,3)21-13(17)19-11-7-9-12(10-8-11)20-14(18)22-16(4,5)6/h7-10H,1-6H3
InChIKey
DAHBOTUNPDMTAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
80.17
TPSA
71.06

LogP / Solubility

WLOGP
4.31
MLOGP
3.81
XLogP3
4.2
Consensus LogP
4.11
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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