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CAS 77545-45-0 3′,6′-dichlorospiro[benzo[c][1,2]oxathiole-3,9′-xanthene] 1,1-dioxide molecular structure lightbox
CAS RN: 77545-45-0

3′,6′-dichlorospiro[benzo[c][1,2]oxathiole-3,9′-xanthene] 1,1-dioxide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 250mg In stock Shanghai Inquiry
  • Product code: SSC-187117
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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 77545-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

77545-45-0 / 3',6'-dichlorospiro[2,1lambda6-benzoxathiole-3,9'-xanthene] 1,1-dioxide

Standard CAS: 77545-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77545-45-0
Multi CAS
No
Molecular Formula
C19H10CL2O4S
Molecular Weight
405.200000
Exact Mass
403.967685
InChI
InChI=1S/C19H10Cl2O4S/c20-11-5-7-13-16(9-11)24-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)25-19/h1-10H
InChIKey
LQLICSQMYYZYEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.05
H-bond acceptors
4
Molar refractivity
97.57
TPSA
52.6

LogP / Solubility

WLOGP
5.11
MLOGP
4.52
XLogP3
4.8
Consensus LogP
4.81
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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