[email protected]
CAS 2055045-04-8 (+)-Biotin-PEG6-NHS Ester molecular structure lightbox
CAS RN: 2055045-04-8

(+)-Biotin-PEG6-NHS Ester

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 100mg In stock Shanghai Inquiry
Batchno.20260618 1g In stock Shanghai Inquiry
Batchno.20260530 1g Out of stock 15 business days Inquiry
Batchno.20251106 250mg In stock Shanghai Inquiry
Batchno.20260328 50mg In stock Shanghai Inquiry
  • Product code: SSC-096670
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, 0.25g, 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 2055045-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2055045-04-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055045-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055045-04-8
Multi CAS
No
Molecular Formula
C29H48N4O12S
Molecular Weight
676.800000
Exact Mass
676.298944
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C29H48N4O12S/c34-24(4-2-1-3-23-28-22(21-46-23)31-29(38)32-28)30-8-10-40-12-14-42-16-18-44-20-19-43-17-15-41-13-11-39-9-7-27(37)45-33-25(35)5-6-26(33)36/h22-23,28H,1-21H2,(H,30,34)(H2,31,32,38)/t22-,23-,28-/m0/s1
InChIKey
QWDVPTVNWZPKBQ-LXWOLXCRSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.83
Rotatable bonds
27
H-bond acceptors
13
H-bond donors
3
Molar refractivity
163.68
TPSA
189.29

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.01
XLogP3
-1.9
Consensus LogP
-0.66
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble

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)
-6.9

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us