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CAS 183896-00-6 N-(13-amino-4,7,10-trioxatridecanyl)-D-biotinamide molecular structure lightbox
CAS RN: 183896-00-6

N-(13-amino-4,7,10-trioxatridecanyl)-D-biotinamide

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg In stock Shanghai Inquiry
Batchno.20250205 1g In stock Shanghai Inquiry
Batchno.20250215 250mg In stock Shanghai Inquiry
Batchno.20250515 50mg In stock Shanghai Inquiry
Batchno.20250701 5g Out of stock Inquiry
  • Product code: SSC-085057
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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: ＞97%
  • 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 183896-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

183896-00-6 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentanamide

Standard CAS: 183896-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183896-00-6
Multi CAS
No
Molecular Formula
C20H38N4O5S
Molecular Weight
446.600000
Exact Mass
446.256292
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCN)NC(=O)N2
InChI
InChI=1S/C20H38N4O5S/c21-7-3-9-27-11-13-29-14-12-28-10-4-8-22-18(25)6-2-1-5-17-19-16(15-30-17)23-20(26)24-19/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26)/t16-,17-,19-/m0/s1
InChIKey
XNGTVIOREZIKAE-LNLFQRSKSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
4
Molar refractivity
117.71
TPSA
123.94

LogP / Solubility

WLOGP
0.62
MLOGP
0.57
XLogP3
-0.6
Consensus LogP
0.2
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01

Drug-likeness / Medicinal Chemistry

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

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