[email protected]
CAS 1431618-70-0 Biotin-PEG3-Mal molecular structure lightbox
CAS RN: 1431618-70-0

Biotin-PEG3-Mal

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 100mg In stock Shanghai Inquiry
Batchno.20250304 1g Out of stock 15 business days Inquiry
Batchno.20260525 1g In stock Shanghai Inquiry
Batchno.20260521 250mg In stock Shanghai Inquiry
Batchno.20250716 50mg In stock Shanghai Inquiry
  • Product code: SSC-054489
GET A QUOTE
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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1431618-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1431618-70-0 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

Standard CAS: 1431618-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1431618-70-0
Multi CAS
No
Molecular Formula
C25H39N5O8S
Molecular Weight
569.700000
Exact Mass
569.251934
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
InChI
InChI=1S/C25H39N5O8S/c31-20(4-2-1-3-19-24-18(17-39-19)28-25(35)29-24)26-8-11-36-13-15-38-16-14-37-12-9-27-21(32)7-10-30-22(33)5-6-23(30)34/h5-6,18-19,24H,1-4,7-17H2,(H,26,31)(H,27,32)(H2,28,29,35)/t18-,19-,24-/m0/s1
InChIKey
OSIQQRWDJZNBFW-JXQFQVJHSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.72
Rotatable bonds
20
H-bond acceptors
9
H-bond donors
4
Molar refractivity
142.91
TPSA
164.4

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.56
XLogP3
-1.9
Consensus LogP
-1.05
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.69

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
5.5

Customers Also Viewed

Get In Touch

Contact Us