![CAS 110347-85-8 CIS-4-[PHOSPHONOMETHYL]-PIPERIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/110347-85-8.gif)
CAS RN: 110347-85-8
CIS-4-[PHOSPHONOMETHYL]-PIPERIDINE-2-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS110347-85-8
- Purity/Analytical Methods: >99.0%
110347-85-8 / (2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
Selfotel | CGS 19755 | CGS-19755
Basic Information
CAS
110347-85-8
Multi CAS
Yes
Molecular Formula
C7H14NO5P
Molecular Weight
223.160000
Exact Mass
223.060960
SMILES
C1CN[C@@H](C[C@@H]1CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChIKey
LPMRCCNDNGONCD-RITPCOANSA-N
Synonyms
Selfotel
CGS 19755
CGS-19755
(2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, cis-
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
49.06
TPSA
106.86
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.33
XLogP3
-3.9
Consensus LogP
-1.54
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
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
2.5
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