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CAS 1891002-60-0 (2R,3R)-4-(anthracen-9-yl)-3-(tert-butyl)-2-isopropyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 1891002-60-0

(2R,3R)-4-(anthracen-9-yl)-3-(tert-butyl)-2-isopropyl-2,3-dihydrobenzo[d][1,3]oxaphosphole

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg Out of stock Inquiry
Batchno.20251128 25mg Out of stock Inquiry
Batchno.20251128 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 25mg / 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-088207
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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 1891002-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1891002-60-0 / (2R,3R)-4-anthracen-9-yl-3-tert-butyl-2-propan-2-yl-2H-1,3-benzoxaphosphole

Standard CAS: 1891002-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1891002-60-0
Multi CAS
No
Molecular Formula
C28H29OP
Molecular Weight
412.500000
Exact Mass
412.195603
SMILES
CC(C)[C@@H]1OC2=CC=CC(=C2[P@]1C(C)(C)C)C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C28H29OP/c1-18(2)27-29-24-16-10-15-23(26(24)30(27)28(3,4)5)25-21-13-8-6-11-19(21)17-20-12-7-9-14-22(20)25/h6-18,27H,1-5H3/t27-,30-/m1/s1
InChIKey
AQQGXLPMISRSAO-POURPWNDSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
132.45
TPSA
9.23

LogP / Solubility

WLOGP
7.94
MLOGP
7.01
XLogP3
7.8
Consensus LogP
7.58
Log S (ESOL)
-7.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
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)
0.4

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
4.5

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