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CAS 1215081-28-9 (2S,3R)-3-tert-butyl-2-(di-tert-butylphosphino)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 1215081-28-9

(2S,3R)-3-tert-butyl-2-(di-tert-butylphosphino)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphole

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250503 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250904 100mg In stock Shanghai Inquiry
Batchno.20251001 250mg In stock Shanghai Inquiry
Batchno.20250606 50mg In stock Shanghai Inquiry
  • Product code: SSC-024024
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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 1215081-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1215081-28-9 / ditert-butyl-[(2S,3R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]phosphane

Standard CAS: 1215081-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215081-28-9
Multi CAS
No
Molecular Formula
C20H34O2P2
Molecular Weight
368.400000
Exact Mass
368.203404
SMILES
CC(C)(C)[P@]1[C@@H](OC2=C1C(=CC=C2)OC)P(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C20H34O2P2/c1-18(2,3)23-16-14(21-10)12-11-13-15(16)22-17(23)24(19(4,5)6)20(7,8)9/h11-13,17H,1-10H3/t17-,23-/m1/s1
InChIKey
FEFJPHDISOPBSZ-UZUQRXQVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
110.14
TPSA
18.46

LogP / Solubility

WLOGP
6.36
MLOGP
5.61
XLogP3
4.1
Consensus LogP
5.36
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.45

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
3.5

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