![CAS 805243-04-3 “3-[BIS(PHENYLMETHOXY)PHOSPHINYL]-PROPANOIC ACID” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/805243-04-3.gif)
CAS RN: 805243-04-3
“3-[BIS(PHENYLMETHOXY)PHOSPHINYL]-PROPANOIC ACID”
- Product code: SSC-189324
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
805243-04-3 / 3-bis(phenylmethoxy)phosphorylpropanoic acid
Basic Information
CAS
805243-04-3
Multi CAS
No
Molecular Formula
C17H19O5P
Molecular Weight
334.300000
Exact Mass
334.097011
InChI
InChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKey
WCSXCHGBVSQCMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.19
TPSA
72.83
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
2
Consensus LogP
3.23
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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