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CAS 81129-83-1 Cilastatin Sodium Salt molecular structure lightbox
CAS RN: 81129-83-1

Cilastatin Sodium Salt

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 100mg In stock Shanghai Inquiry
Batchno.20250123 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251230 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-189675
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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 81129-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

81129-83-1 / sodium (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate

Standard CAS: 81129-83-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81129-83-1
Multi CAS
Yes
Molecular Formula
C16H25N2NAO5S
Molecular Weight
380.400000
Exact Mass
380.138187
InChI
InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1
InChIKey
QXPBTTUOVWMPJN-QBNHLFMHSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
89.91
TPSA
132.55

LogP / Solubility

WLOGP
-2.9
MLOGP
-2.53
XLogP3
-2.9
Consensus LogP
-2.78
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-7.1

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
3.5

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