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CAS 1338454-38-8 (R)-3-(tert-butyl)-4-(2,6-diisopropoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 1338454-38-8

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

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100mg In stock Shanghai Inquiry
Batchno.20260427 1g In stock Shanghai Inquiry
Batchno.20260406 250mg In stock Shanghai Inquiry
  • Product code: SSC-040877
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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: ≥95%
  • 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 1338454-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1338454-38-8 / (3R)-3-tert-butyl-4-[2,6-di(propan-2-yloxy)phenyl]-2H-1,3-benzoxaphosphole

Standard CAS: 1338454-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1338454-38-8
Multi CAS
No
Molecular Formula
C23H31O3P
Molecular Weight
386.500000
Exact Mass
386.201082
SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=C3C(=CC=C2)OC[P@@]3C(C)(C)C
InChI
InChI=1S/C23H31O3P/c1-15(2)25-18-11-9-12-19(26-16(3)4)21(18)17-10-8-13-20-22(17)27(14-24-20)23(5,6)7/h8-13,15-16H,14H2,1-7H3/t27-/m0/s1
InChIKey
JPJPMJVRCYAVEU-MHZLTWQESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
115.21
TPSA
27.69

LogP / Solubility

WLOGP
6.18
MLOGP
5.46
XLogP3
5.5
Consensus LogP
5.71
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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