CAS RN: 2098655-51-5
Betrixaban d6
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.20250415 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2098655-51-5
- Purity/Analytical Methods: >99.0%
2098655-51-5 / 2-[[4-[(E)-[bis(trideuteriomethyl)hydrazinylidene]methyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide
Basic Information
CAS
2098655-51-5
Multi CAS
No
Molecular Formula
C23H22ClN5O3
Molecular Weight
457.900000
Exact Mass
457.178778
SMILES
[2H]C([2H])([2H])N(C([2H])([2H])[2H])/N=C/C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C23H22ClN5O3/c1-29(2)26-13-15-4-6-16(7-5-15)22(30)27-20-10-9-18(32-3)12-19(20)23(31)28-21-11-8-17(24)14-25-21/h4-14H,1-3H3,(H,27,30)(H,25,28,31)/b26-13+/i1D3,2D3
InChIKey
PGOYJYHMBCZDLN-YJKHHXLJSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
125.87
TPSA
95.92
LogP / Solubility
WLOGP
4.14
MLOGP
3.68
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile
- CAS RN: 2098784-70-2
- Product Code: SSC-099785
-
2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide
- CAS RN: 2098787-86-9
- Product Code: starshine_CAS2098787-86-9
- Purity/Analytical method: >99.0%
-
-
(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(prop-2-yn-1-yloxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
- CAS RN: 2098799-78-9
- Product Code: starshine_CAS2098799-78-9
- Purity/Analytical method: >99.0%
-
(2S,4R)-1-((S)-2-(tert-Butyl)-4-oxo-6,9,12-trioxa-3-azapentadec-14-yn-1-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
- CAS RN: 2098799-80-3
- Product Code: starshine_CAS2098799-80-3
- Purity/Analytical method: >99.0%
![CAS 2098784-70-2 2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098784-70-2.png)
