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CAS 114525-81-4 (R)-4-BOC-THIOMORPHOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 114525-81-4

(R)-4-BOC-THIOMORPHOLINE-3-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 100mg In stock Shanghai Inquiry
Batchno.20250902 100mg / 250mg Out of stock 15 business days Inquiry
Batchno.20250416 1g In stock Shanghai Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
Batchno.20250307 5g In stock Shanghai Inquiry
  • Product code: SSC-014273
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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 114525-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

114525-81-4 / (3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid

(R)-4-Boc-thiomorpholine-3-carboxylic acid | DTXSID00373165 | RefChem:210913

Standard CAS: 114525-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114525-81-4
Multi CAS
Yes
Molecular Formula
C10H17NO4S
Molecular Weight
247.310000
Exact Mass
247.087829
SMILES
CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)O
InChI
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
CTDIKDIZNAGMFK-ZETCQYMHSA-N
Synonyms
(R)-4-Boc-thiomorpholine-3-carboxylic acid DTXSID00373165 RefChem:210913 DTXCID00324197 (R)-4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.69
TPSA
66.84

LogP / Solubility

WLOGP
1.42
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

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

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