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CAS 1247119-36-3 (S)-Ethyl-2-(3-((2-isopropylthiazol-4-yl)Methyl)-3-Methylureido)-4-Morpholinobutanoate oxalate molecular structure lightbox
CAS RN: 1247119-36-3

(S)-Ethyl-2-(3-((2-isopropylthiazol-4-yl)Methyl)-3-Methylureido)-4-Morpholinobutanoate oxalate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-028842
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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 1247119-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1247119-36-3 / ethyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoate;oxalic acid

Standard CAS: 1247119-36-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1247119-36-3
Multi CAS
No
Molecular Formula
C21H34N4O8S
Molecular Weight
502.600000
Exact Mass
502.209735
SMILES
CCOC(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)CC2=CSC(=N2)C(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C19H32N4O4S.C2H2O4/c1-5-27-18(24)16(6-7-23-8-10-26-11-9-23)21-19(25)22(4)12-15-13-28-17(20-15)14(2)3;3-1(4)2(5)6/h13-14,16H,5-12H2,1-4H3,(H,21,25);(H,3,4)(H,5,6)/t16-;/m0./s1
InChIKey
QZLDJULECASEHV-NTISSMGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
123.77
TPSA
158.6

LogP / Solubility

WLOGP
1.22
MLOGP
1.11
XLogP3
1.22
Consensus LogP
1.18
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

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