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CAS 1788085-47-1 di-tert-butyl((2R,3R)-3-(tert-butyl)-4-(dimethylamino)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide molecular structure lightbox
CAS RN: 1788085-47-1

di-tert-butyl((2R,3R)-3-(tert-butyl)-4-(dimethylamino)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251006 100mg / 500mg Out of stock 5-7 business days Inquiry
Batchno.20260209 1g In stock Shanghai Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
  • Product code: SSC-079639
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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: 0.25g
  • 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 1788085-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1788085-47-1 / (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-N,N-dimethyl-2H-1,3-benzoxaphosphol-4-amine

Standard CAS: 1788085-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788085-47-1
Multi CAS
No
Molecular Formula
C21H37NO2P2
Molecular Weight
397.500000
Exact Mass
397.229953
SMILES
CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)N(C)C)P(=O)(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C21H37NO2P2/c1-19(2,3)25-17-15(22(10)11)13-12-14-16(17)24-18(25)26(23,20(4,5)6)21(7,8)9/h12-14,18H,1-11H3/t18-,25-/m0/s1
InChIKey
TUYVJJFLJWCOEY-BVZFJXPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
118.6
TPSA
29.54

LogP / Solubility

WLOGP
6.29
MLOGP
5.56
XLogP3
3.7
Consensus LogP
5.18
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68

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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