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CAS 2543900-12-3 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 2543900-12-3

INDEX NAME NOT YET ASSIGNED

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai Inquiry
Batchno.20250416 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250919 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260513 5g Out of stock Inquiry
  • Product code: SSC-121385
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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: ≥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 2543900-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

2543900-12-3 / 11-(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)benzo[b][1]benzazepine

Standard CAS: 2543900-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2543900-12-3
Multi CAS
No
Molecular Formula
C34H30NO2P
Molecular Weight
515.600000
Exact Mass
515.201416
SMILES
C1CCC2=C(C1)C=CC3=C2C4=C(C=CC5=C4CCCC5)OP(O3)N6C7=CC=CC=C7C=CC8=CC=CC=C86
InChI
InChI=1S/C34H30NO2P/c1-5-13-27-23(9-1)19-21-31-33(27)34-28-14-6-2-10-24(28)20-22-32(34)37-38(36-31)35-29-15-7-3-11-25(29)17-18-26-12-4-8-16-30(26)35/h3-4,7-8,11-12,15-22H,1-2,5-6,9-10,13-14H2
InChIKey
LBZVTGZVTFTRNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
27
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
158.95
TPSA
29.52

LogP / Solubility

WLOGP
10.13
MLOGP
8.95
XLogP3
10.2
Consensus LogP
9.76
Log S (ESOL)
-9.88
Class (ESOL)
Insoluble
Log S (Ali)
-11.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.54
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.33

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
6.5

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