![CAS 2304635-13-8 Imidodicarbonic acid, 2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-, 1,3-bis(phenylmethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-13-8.gif)
CAS RN: 2304635-13-8
Imidodicarbonic acid, 2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-, 1,3-bis(phenylmethyl) ester
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.20260616 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2304635-13-8
- Purity/Analytical Methods: >99.0%
2304635-13-8 / benzyl N-phenylmethoxycarbonyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
Basic Information
CAS
2304635-13-8
Multi CAS
No
Molecular Formula
C30H34BNO6
Molecular Weight
515.400000
Exact Mass
515.247918
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCN(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C30H34BNO6/c1-29(2)30(3,4)38-31(37-29)26-17-15-23(16-18-26)19-20-32(27(33)35-21-24-11-7-5-8-12-24)28(34)36-22-25-13-9-6-10-14-25/h5-18H,19-22H2,1-4H3
InChIKey
SWYCPMZDHKHRGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
145.82
TPSA
74.3
LogP / Solubility
WLOGP
5.5
MLOGP
4.88
XLogP3
5.5
Consensus LogP
5.29
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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