CAS RN: 93621-94-4
(S,S)-(+)-2,5-BIS(METHOXYMETHYL)PYRROLIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260107 |
100mg |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS93621-94-4
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Purity/Analytical Methods:
>99.0%
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93621-94-4 / 2,5-bis(methoxymethyl)pyrrolidine
Standard CAS: 93621-94-4
Multi CAS: Yes
Basic Information
CAS
93621-94-4
Multi CAS
Yes
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
HDXYTIYVVNJFLU-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.7
TPSA
30.49
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.1
Consensus LogP
0.28
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5