[email protected]
CAS 193673-00-6 Acetic acid, (diMethoxyphosphinyl)[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester, (S)- (9CI) molecular structure lightbox
CAS RN: 193673-00-6

Acetic acid, (diMethoxyphosphinyl)[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester, (S)- (9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS193673-00-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

193673-00-6 / methyl (2S)-2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

Standard CAS: 193673-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193673-00-6
Multi CAS
No
Molecular Formula
C13H18NO7P
Molecular Weight
331.260000
Exact Mass
331.082089
SMILES
COC(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC
InChI
InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey
GSYSFVSGPABNNL-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
77.19
TPSA
100.16

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
0.7
Consensus LogP
1.43
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us