![CAS 1621619-12-2 Cyclohexanol, 4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621619-12-2.gif)
CAS RN: 1621619-12-2
Cyclohexanol, 4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, trans-
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.20251230 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1621619-12-2
- Purity/Analytical Methods: >99.0%
1621619-12-2 / 4-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol
Basic Information
CAS
1621619-12-2
Multi CAS
No
Molecular Formula
C12H14ClN3O
Molecular Weight
251.710000
Exact Mass
251.082540
SMILES
C1CC(CCC1N2C=CC3=CN=C(N=C32)Cl)O
InChI
InChI=1S/C12H14ClN3O/c13-12-14-7-8-5-6-16(11(8)15-12)9-1-3-10(17)4-2-9/h5-7,9-10,17H,1-4H2
InChIKey
FAWNDWMXKAMDGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.05
TPSA
50.94
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1621627-47-1 (R)-2-Hydroxy-3-(diphenylphosphino)-2’-[(S)-hydroxy(phenyl)methyl]-[1,1’-binaphthalene] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(R)-2-Hydroxy-3-(diphenylphosphino)-2’-[(S)-hydroxy(phenyl)methyl]-[1,1’-binaphthalene]
- CAS RN: 1621627-47-1
- Product Code: SSC-069716
-
-
Methyl (R)-3-Boc-1,2,3-oxathiazolidine-4-carboxylate 2,2-Dioxide
- CAS RN: 1621706-89-5
- Product Code: SSC-069726
-
CPI-1205
- CAS RN: 1621862-70-1
- Product Code: starshine_CAS1621862-70-1
- Purity/Analytical method: >99.0%
-
(2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylic acid
- CAS RN: 1621863-51-1
- Product Code: SSC-069732
-
AODDRWVLAXJCBA-UHFFFAOYSA-N
- CAS RN: 1621884-22-7
- Product Code: starshine_CAS1621884-22-7
- Purity/Analytical method: >99.0%
![CAS 1621627-47-1 (R)-2-Hydroxy-3-(diphenylphosphino)-2’-[(S)-hydroxy(phenyl)methyl]-[1,1’-binaphthalene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621627-47-1.gif)
![CAS 1621863-51-1 (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621863-51-1.gif)
