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CAS 1908442-13-6 3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2,4,6-triisopropylbenzyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 1908442-13-6

3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2,4,6-triisopropylbenzyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260503 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260306 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250913 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251001 50mg In stock Shanghai Inquiry
  • Product code: SSC-089322
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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: 0.1g
  • 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 1908442-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

1908442-13-6 / 3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzoxaphosphole

Standard CAS: 1908442-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1908442-13-6
Multi CAS
No
Molecular Formula
C35H47O3P
Molecular Weight
546.700000
Exact Mass
546.326282
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)CC2OC3=CC=CC(=C3P2C(C)(C)C)C4=C(C=CC=C4OC)OC)C(C)C
InChI
InChI=1S/C35H47O3P/c1-21(2)24-18-26(22(3)4)28(27(19-24)23(5)6)20-32-38-31-17-12-14-25(34(31)39(32)35(7,8)9)33-29(36-10)15-13-16-30(33)37-11/h12-19,21-23,32H,20H2,1-11H3
InChIKey
RXGMKJPMNONITA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.49
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
168.12
TPSA
27.69

LogP / Solubility

WLOGP
9.61
MLOGP
8.5
XLogP3
9.3
Consensus LogP
9.14
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-10.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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