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CAS 1018899-04-1 LX-4211 molecular structure lightbox
CAS RN: 1018899-04-1

LX-4211

Product Availability

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12 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100mg In stock Shanghai Inquiry
Batchno.20250519 10g In stock Shanghai Inquiry
Batchno.20250816 10mg In stock Shanghai Inquiry
Batchno.20250407 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260610 1mg In stock Shanghai Inquiry
Batchno.20250620 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250903 25g Out of stock Inquiry
Batchno.20260506 25mg In stock Shanghai Inquiry
Batchno.20260319 2mg In stock Shanghai Inquiry
Batchno.20260525 50mg In stock Shanghai Inquiry
Batchno.20250930 5g Out of stock Inquiry
Batchno.20260505 5mg In stock Shanghai Inquiry
  • Product code: SSC-002945
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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 1018899-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1018899-04-1 / (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol

Sotagliflozin | LX-4211 | LX4211

Standard CAS: 1018899-04-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1018899-04-1
Multi CAS
Yes
Molecular Formula
C21H25ClO5S
Molecular Weight
424.900000
Exact Mass
424.111123
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)SC)O)O)O)Cl
InChI
InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
InChIKey
QKDRXGFQVGOQKS-CRSSMBPESA-N
Synonyms
Sotagliflozin LX-4211 LX4211 INPEFA sotagliflozina

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
111.02
TPSA
79.15

LogP / Solubility

WLOGP
3.17
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.06
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (25%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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