CAS RN: 1807534-77-5
Fluorescein-PEG3-(N-Boc)-Amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1807534-77-5
- Purity/Analytical Methods: >99.0%
1807534-77-5 / tert-butyl N-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1807534-77-5
Multi CAS
No
Molecular Formula
C34H39N3O10S
Molecular Weight
681.800000
Exact Mass
681.235616
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C34H39N3O10S/c1-33(2,3)47-32(41)36-11-13-43-15-17-44-16-14-42-12-10-35-31(48)37-21-4-7-25-24(18-21)30(40)46-34(25)26-8-5-22(38)19-28(26)45-29-20-23(39)6-9-27(29)34/h4-9,18-20,38-39H,10-17H2,1-3H3,(H,36,41)(H2,35,37,48)
InChIKey
SVPKKGHAKHLTNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
13
H-bond acceptors
11
H-bond donors
5
Molar refractivity
178.94
TPSA
166.07
LogP / Solubility
WLOGP
4.53
MLOGP
4.04
XLogP3
3.3
Consensus LogP
3.96
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66
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
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Ald–Ph-PEG2-acid
- CAS RN: 1807534-84-4
- Product Code: starshine_CAS1807534-84-4
- Purity/Analytical method: >99.0%
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