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CAS 625090-99-5 1-(8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine molecular structure lightbox
CAS RN: 625090-99-5

1-(8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 100mg In stock Shenzhen Inquiry
Batchno.20250222 100mg / 250mg / 1g / 5g Out of stock 15 business days Inquiry
Batchno.20260222 1g Out of stock Inquiry
Batchno.20251208 250mg Out of stock Inquiry
  • Product code: starshine_CAS625090-99-5
  • Purity/Analytical Methods: >99.0%
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625090-99-5 / 1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-yl)pyrrolidine

Standard CAS: 625090-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
625090-99-5
Multi CAS
No
Molecular Formula
C24H28NO2P
Molecular Weight
393.500000
Exact Mass
393.185766
InChI
InChI=1S/C24H28NO2P/c1-3-9-19-17(7-1)11-13-21-23(19)24-20-10-4-2-8-18(20)12-14-22(24)27-28(26-21)25-15-5-6-16-25/h11-14H,1-10,15-16H2
InChIKey
IPPGHIOZFPVFGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
116.79
TPSA
29.52

LogP / Solubility

WLOGP
6.78
MLOGP
5.99
XLogP3
6.8
Consensus LogP
6.52
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-0.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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