[email protected]
CAS 2353409-93-3 PC biotin-PEG3-NHS ester molecular structure lightbox
CAS RN: 2353409-93-3

PC biotin-PEG3-NHS ester

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 25mg In stock Inquiry
Batchno.20250921 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg In stock Shanghai Inquiry
Batchno.20260216 10mg In stock Shanghai Inquiry
Batchno.20250720 250mg Out of stock Inquiry
Batchno.20251018 25mg In stock Shanghai Inquiry
Batchno.20260419 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2353409-93-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2353409-93-3 / 1-[4-[4-[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]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

Standard CAS: 2353409-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-93-3
Multi CAS
No
Molecular Formula
C36H52N6O15S
Molecular Weight
840.900000
Exact Mass
840.321136
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)OC)OC(=O)ON4C(=O)CCC4=O
InChI
InChI=1S/C36H52N6O15S/c1-23(56-36(48)57-41-32(45)9-10-33(41)46)24-20-27(51-2)28(21-26(24)42(49)50)55-13-5-8-31(44)38-12-15-53-17-19-54-18-16-52-14-11-37-30(43)7-4-3-6-29-34-25(22-58-29)39-35(47)40-34/h20-21,23,25,29,34H,3-19,22H2,1-2H3,(H,37,43)(H,38,44)(H2,39,40,47)/t23?,25-,29-,34-/m0/s1
InChIKey
WXAMRLAFOFNACR-VTJXTUSFSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
27
H-bond acceptors
16
H-bond donors
4
Molar refractivity
203.88
TPSA
261.53

LogP / Solubility

WLOGP
2.05
MLOGP
1.88
XLogP3
0.3
Consensus LogP
1.41
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
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)
-6.4

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
6.5

Customers Also Viewed

Get In Touch

Contact Us