[email protected]
CAS 1263166-92-2 endo-BCN-PEG3-Biotin molecular structure lightbox
CAS RN: 1263166-92-2

endo-BCN-PEG3-Biotin

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260227 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250110 100mg In stock Shanghai Inquiry
Batchno.20251010 10mg In stock Shanghai Inquiry
Batchno.20260124 25mg In stock Shanghai Inquiry
Batchno.20251208 50mg In stock Shanghai Inquiry
Batchno.20250101 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1263166-92-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1263166-92-2 / [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[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]ethyl]carbamate

Standard CAS: 1263166-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263166-92-2
Multi CAS
No
Molecular Formula
C29H46N4O7S
Molecular Weight
594.800000
Exact Mass
594.308721
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)CCC#C1
InChI
InChI=1S/C29H46N4O7S/c34-26(10-6-5-9-25-27-24(20-41-25)32-28(35)33-27)30-11-13-37-15-17-39-18-16-38-14-12-31-29(36)40-19-23-21-7-3-1-2-4-8-22(21)23/h21-25,27H,3-20H2,(H,30,34)(H,31,36)(H2,32,33,35)/t21-,22+,23?,24-,25-,27-/m0/s1
InChIKey
LZIHJLCCQAFQSO-MSBMMZNKSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.83
Rotatable bonds
19
H-bond acceptors
8
H-bond donors
4
Molar refractivity
155.49
TPSA
136.25

LogP / Solubility

WLOGP
2.04
MLOGP
1.85
XLogP3
1.7
Consensus LogP
1.86
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.9

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
7

Customers Also Viewed

Get In Touch

Contact Us