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CAS 202478-34-0 N N-DIBENZYL-D-SERINE METHYL ESTER& molecular structure lightbox
CAS RN: 202478-34-0

N N-DIBENZYL-D-SERINE METHYL ESTER&

  • Product code: SSC-095367
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 202478-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

202478-34-0 / methyl (2R)-2-(dibenzylamino)-3-hydroxypropanoate

Standard CAS: 202478-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202478-34-0
Multi CAS
No
Molecular Formula
C18H21NO3
Molecular Weight
299.400000
Exact Mass
299.152144
SMILES
COC(=O)[C@@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C18H21NO3/c1-22-18(21)17(14-20)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3/t17-/m1/s1
InChIKey
VAAGDABRDJFHHK-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.02
TPSA
49.77

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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