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CAS 252288-04-3 (S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a molecular structure lightbox
CAS RN: 252288-04-3

(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 100mg In stock Shanghai Inquiry
Batchno.20250205 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260606 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 1g In stock Shanghai Inquiry
Batchno.20250216 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-120988
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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 252288-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

252288-04-3 / N,N-diethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

Standard CAS: 252288-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252288-04-3
Multi CAS
No
Molecular Formula
C24H22NO2P
Molecular Weight
387.400000
Exact Mass
387.138816
SMILES
CCN(CC)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54
InChI
InChI=1S/C24H22NO2P/c1-3-25(4-2)28-26-21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)27-28/h5-16H,3-4H2,1-2H3
InChIKey
SQKCCVLITFBZPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
120.63
TPSA
29.52

LogP / Solubility

WLOGP
7.57
MLOGP
6.69
XLogP3
6.8
Consensus LogP
7.02
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.29

Drug-likeness / Medicinal Chemistry

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

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