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CAS 102507-49-3 (S)-3-Amino-2,2-dimethyl-4-oxoazetidin-1-ylhydrogensulfate molecular structure lightbox
CAS RN: 102507-49-3

(S)-3-Amino-2,2-dimethyl-4-oxoazetidin-1-ylhydrogensulfate

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 100mg Out of stock Inquiry
Batchno.20260321 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250630 1g In stock Shanghai Inquiry
Batchno.20250710 250mg In stock Shanghai Inquiry
Batchno.20250728 5g Out of stock Inquiry
  • Product code: SSC-003761
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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: 0.1g, 0.25g, 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 102507-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

102507-49-3 / [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate

(3-amino-2,2-dimethyl-4-oxoazetidin-1-yl) hydrogen sulfate | C5H10N2O5S | SCHEMBL1687088

Standard CAS: 102507-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102507-49-3
Multi CAS
Yes
Molecular Formula
C5H10N2O5S
Molecular Weight
210.210000
Exact Mass
210.031043
SMILES
CC1([C@@H](C(=O)N1OS(=O)(=O)O)N)C
InChI
InChI=1S/C5H10N2O5S/c1-5(2)3(6)4(8)7(5)12-13(9,10)11/h3H,6H2,1-2H3,(H,9,10,11)/t3-/m1/s1
InChIKey
CDGJTKZKKHLQQN-GSVOUGTGSA-N
Synonyms
(3-amino-2,2-dimethyl-4-oxoazetidin-1-yl) hydrogen sulfate C5H10N2O5S SCHEMBL1687088 SB46574 (3-amino-2,2-dimethyl-4-oxo-azetidin-1-yl) hydrogen sulfate

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
41.53
TPSA
109.93

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.17
XLogP3
-3.9
Consensus LogP
-2.13
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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