CAS RN: 1009628-22-1
(S)-4-(2-chloro-6-(iodomethyl)pyrimidin-4-yl)-3-methylmorpholine
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.20260623 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009628-22-1
- Purity/Analytical Methods: >99.0%
1009628-22-1 / (3S)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine
(S)-4-(2-CHLORO-6-(IODOMETHYL)PYRIMIDIN-4-YL)-3-METHYLMORPHOLINE | (3S)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine | MFCD28404480
Basic Information
CAS
1009628-22-1
Multi CAS
Yes
Molecular Formula
C10H13ClIN3O
Molecular Weight
353.590000
Exact Mass
352.979190
SMILES
C[C@H]1COCCN1C2=NC(=NC(=C2)CI)Cl
InChI
InChI=1S/C10H13ClIN3O/c1-7-6-16-3-2-15(7)9-4-8(5-12)13-10(11)14-9/h4,7H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKey
XCOOZBOFPOZBFU-ZETCQYMHSA-N
Synonyms
(S)-4-(2-CHLORO-6-(IODOMETHYL)PYRIMIDIN-4-YL)-3-METHYLMORPHOLINE
(3S)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine
MFCD28404480
C10H13ClIN3O
SCHEMBL737939
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.39
TPSA
38.25
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.7
Consensus LogP
2.34
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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