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CAS 1620003-88-4 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 2,6-bis(3,5-difluorophenyl)-4-hydroxy-, 4-oxide, (11bS)- molecular structure lightbox
CAS RN: 1620003-88-4

Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 2,6-bis(3,5-difluorophenyl)-4-hydroxy-, 4-oxide, (11bS)-

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250501 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250613 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250124 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260226 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS1620003-88-4
  • Purity/Analytical Methods: >99.0%
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1620003-88-4 / 10,16-bis(3,5-difluorophenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Standard CAS: 1620003-88-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1620003-88-4
Multi CAS
No
Molecular Formula
C32H17F4O4P
Molecular Weight
572.400000
Exact Mass
572.080059
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)F)F)OP(=O)(O3)O)C7=CC(=CC(=C7)F)F
InChI
InChI=1S/C32H17F4O4P/c33-21-9-19(10-22(34)15-21)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35)16-24(36)12-20)32(30)40-41(37,38)39-31(27)29/h1-16H,(H,37,38)
InChIKey
FMGXESOBLCQWCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
148.68
TPSA
55.76

LogP / Solubility

WLOGP
9.42
MLOGP
8.34
XLogP3
8.5
Consensus LogP
8.75
Log S (ESOL)
-9.77
Class (ESOL)
Insoluble
Log S (Ali)
-11.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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