[email protected]
CAS 1205744-09-7 N-Biotinyl-NH-(PEG)2-CO2H·nDIPEA molecular structure lightbox
CAS RN: 1205744-09-7

N-Biotinyl-NH-(PEG)2-CO2H·nDIPEA

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 100mg Out of stock Inquiry
  • Product code: starshine_CAS1205744-09-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1205744-09-7 / 5-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine

Biotinyl-NH-PEG3-C3-amido-C3-COOH (DIPEA) | N-Biotinyl-NH-(PEG)2-COOH . DIPEA | Biotinyl-tota-glutaramic acid dipea salt

Standard CAS: 1205744-09-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1205744-09-7
Multi CAS
Yes
Molecular Formula
C33H63N5O8S
Molecular Weight
689.900000
Exact Mass
689.439735
SMILES
CCN(C(C)C)C(C)C.C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C25H44N4O8S.C8H19N/c30-21(7-2-1-6-20-24-19(18-38-20)28-25(34)29-24)26-10-4-12-35-14-16-37-17-15-36-13-5-11-27-22(31)8-3-9-23(32)33;1-6-9(7(2)3)8(4)5/h19-20,24H,1-18H2,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34);7-8H,6H2,1-5H3/t19-,20-,24-;/m0./s1
InChIKey
QHGWMUWTURKJLL-GWCCHDLDSA-N
Synonyms
Biotinyl-NH-PEG3-C3-amido-C3-COOH (DIPEA) N-Biotinyl-NH-(PEG)2-COOH . DIPEA Biotinyl-tota-glutaramic acid dipea salt 5-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine O-(N-Biotiny-NH-(PEG)2-COOH.DIPEA

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.88
Rotatable bonds
26
H-bond acceptors
9
H-bond donors
5
Molar refractivity
185.81
TPSA
167.56

LogP / Solubility

WLOGP
3.15
MLOGP
2.83
XLogP3
3.15
Consensus LogP
3.04
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.88
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
Yes
Log Kp (skin permeation)
-4.69

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