CAS RN: 1964503-35-2
Biotin-NH(PEG4-acid)2
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1964503-35-2
- Purity/Analytical Methods: >99.0%
1964503-35-2 / 3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1964503-35-2
Multi CAS
No
Molecular Formula
C32H57N3O14S
Molecular Weight
739.900000
Exact Mass
739.356125
SMILES
C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C32H57N3O14S/c36-28(4-2-1-3-27-31-26(25-50-27)33-32(41)34-31)35(7-11-44-15-19-48-23-21-46-17-13-42-9-5-29(37)38)8-12-45-16-20-49-24-22-47-18-14-43-10-6-30(39)40/h26-27,31H,1-25H2,(H,37,38)(H,39,40)(H2,33,34,41)/t26-,27-,31-/m1/s1
InChIKey
PBACTYCVXZZFPD-MMXANPLTSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.88
Rotatable bonds
35
H-bond acceptors
13
H-bond donors
4
Molar refractivity
181.59
TPSA
209.88
LogP / Solubility
WLOGP
0.62
MLOGP
0.61
XLogP3
-1.9
Consensus LogP
-0.22
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-6.79
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
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