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CAS 400827-64-7 7 β – aMino – 3 – [4 – pyridyl – 2 – thiazole sulfur radical ] – 3 – cepheM – 4 – carboxylic acid ·2HCl molecular structure lightbox
CAS RN: 400827-64-7

7 β – aMino – 3 – [4 – pyridyl – 2 – thiazole sulfur radical ] – 3 – cepheM – 4 – carboxylic acid ·2HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-148027
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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 400827-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

400827-64-7 / (6R,7R)-7-amino-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride

Standard CAS: 400827-64-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
400827-64-7
Multi CAS
Yes
Molecular Formula
C16H16CL2N4O3S3
Molecular Weight
479.400000
Exact Mass
477.976159
InChI
InChI=1S/C16H14N4O3S3.2ClH/c1-19-4-2-8(3-5-19)9-6-25-16(18-9)26-10-7-24-14-11(17)13(21)20(14)12(10)15(22)23;;/h2-6,11,14H,7,17H2,1H3;2*1H/t11-,14-;;/m1../s1
InChIKey
SCEMEDZWEIWQPU-WGSPLUPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
107.56
TPSA
100.4

LogP / Solubility

WLOGP
-1.31
MLOGP
-1.12
XLogP3
-1.31
Consensus LogP
-1.25
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-6.57

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
4

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