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CAS 1193697-61-8 R-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-bi-2-naphthyl phosphate molecular structure lightbox
CAS RN: 1193697-61-8

R-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-bi-2-naphthyl phosphate

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250422 1g Out of stock Inquiry
Batchno.20251010 250mg In stock Shanghai Inquiry
Batchno.20250202 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 100mg In stock Shanghai Inquiry
  • Product code: SSC-019919
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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 1193697-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1193697-61-8 / 13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene 13-oxide

(R)-4-Hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide | MFCD22200734 | (S)-4-Hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide

Standard CAS: 1193697-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1193697-61-8
Multi CAS
Yes
Molecular Formula
C20H21O4P
Molecular Weight
356.400000
Exact Mass
356.117746
SMILES
C1CCC2=C(C1)C=CC3=C2C4=C(C=CC5=C4CCCC5)OP(=O)(O3)O
InChI
InChI=1S/C20H21O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h9-12H,1-8H2,(H,21,22)
InChIKey
HCTOYKLUBVCMFH-UHFFFAOYSA-N
Synonyms
(R)-4-Hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide MFCD22200734 (S)-4-Hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide (11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-, 4-oxide, (11bS)-

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.24
TPSA
55.76

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
5.1
Consensus LogP
4.83
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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