CAS RN: 331730-13-3
Boc-β-(3-thienyl)-Ala-OH (dicyclohexylammonium) salt
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.20250706 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS331730-13-3
- Purity/Analytical Methods: >99.0%
331730-13-3 / N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid
Basic Information
CAS
331730-13-3
Multi CAS
Yes
Molecular Formula
C24H40N2O4S
Molecular Weight
452.700000
Exact Mass
452.270879
InChI
InChI=1S/C12H17NO4S.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)6-8-4-5-18-7-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2/t9-;/m0./s1
InChIKey
FNTVEJPWKBETJW-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
125.7
TPSA
87.66
LogP / Solubility
WLOGP
5.51
MLOGP
4.88
XLogP3
5.51
Consensus LogP
5.3
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Unii-fys6T7F842
- CAS RN: 331731-18-1
- Product Code: starshine_CAS331731-18-1
- Purity/Analytical method: >99.0%
-
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-y l)ethoxy]phenyl]methyl]amino]acetic acid
- CAS RN: 331741-94-7
- Product Code: starshine_CAS331741-94-7
- Purity/Analytical method: >99.0%
-
5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
- CAS RN: 331761-45-6
- Product Code: starshine_CAS331761-45-6
- Purity/Analytical method: >99.0%
-
4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE
- CAS RN: 331761-46-7
- Product Code: SSC-139094
-
(R)-3-Amino-4-(2-chloro-phenyl)-butyric acida€￠HCl
- CAS RN: 331763-53-2
- Product Code: SSC-139095
-
(S)-3-Amino-4-(3-Chlorophenyl)butyric Acid Hydrochloride
- CAS RN: 331763-54-3
- Product Code: SSC-139096
![CAS 331741-94-7 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-y l)ethoxy]phenyl]methyl]amino]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331741-94-7.gif)
![CAS 331761-45-6 5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331761-45-6.gif)
![CAS 331761-46-7 4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331761-46-7.gif)
