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CAS 185449-80-3 (S)-(+)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a’]dinaphthalen-4-yl)dimethylamine molecular structure lightbox
CAS RN: 185449-80-3

(S)-(+)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a’]dinaphthalen-4-yl)dimethylamine

Product Availability

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10 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1g In stock Inquiry
Batchno.20250518 200mg Out of stock Inquiry
Batchno.20260630 250mg In stock Inquiry
Batchno.20250908 25g Out of stock Inquiry
Batchno.20260223 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 10g Out of stock Inquiry
Batchno.20250720 1g In stock Shenzhen Inquiry
Batchno.20260527 250mg In stock Shanghai Inquiry
Batchno.20260410 25g In stock Chengdu Inquiry
Batchno.20260626 5g Out of stock Inquiry
  • Product code: SSC-085839
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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, 1g, 5g, 10g
  • 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 185449-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

185449-80-3 / N,N-dimethyl-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: 185449-80-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
185449-80-3
Multi CAS
No
Molecular Formula
C22H18NO2P
Molecular Weight
359.400000
Exact Mass
359.107516
SMILES
CN(C)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54
InChI
InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3
InChIKey
QCHAVHXSBZARBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
23
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
111.4
TPSA
29.52

LogP / Solubility

WLOGP
6.79
MLOGP
6
XLogP3
6.1
Consensus LogP
6.3
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
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)
-0.09

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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