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CAS 175885-18-4 Biotin-PEG2-NH-Boc molecular structure lightbox
CAS RN: 175885-18-4

Biotin-PEG2-NH-Boc

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250824 100mg Out of stock Inquiry
Batchno.20260115 250mg Out of stock Inquiry
Batchno.20250601 50mg Out of stock Inquiry
  • Product code: SSC-077120
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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: 0.25g
  • 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 175885-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

175885-18-4 / tert-butyl N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 175885-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175885-18-4
Multi CAS
No
Molecular Formula
C21H38N4O6S
Molecular Weight
474.600000
Exact Mass
474.251206
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI
InChI=1S/C21H38N4O6S/c1-21(2,3)31-20(28)23-9-11-30-13-12-29-10-8-22-17(26)7-5-4-6-16-18-15(14-32-16)24-19(27)25-18/h15-16,18H,4-14H2,1-3H3,(H,22,26)(H,23,28)(H2,24,25,27)/t15-,16-,18-/m0/s1
InChIKey
GCMGCUOONLVCAK-BQFCYCMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.86
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
4
Molar refractivity
122.84
TPSA
127.02

LogP / Solubility

WLOGP
1.39
MLOGP
1.25
XLogP3
0.5
Consensus LogP
1.05
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-4.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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