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CAS 1233-79-0 Cbz-(S)-3-amino-2-phenylpropanoic acid molecular structure lightbox
CAS RN: 1233-79-0

Cbz-(S)-3-amino-2-phenylpropanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026940
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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: 1g
  • 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 1233-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1233-79-0 / (2S)-2-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 1233-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233-79-0
Multi CAS
No
Molecular Formula
C17H17NO4
Molecular Weight
299.320000
Exact Mass
299.115758
SMILES
C1=CC=C(C=C1)COC(=O)NC[C@H](C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H17NO4/c19-16(20)15(14-9-5-2-6-10-14)11-18-17(21)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKey
OHZVNLINVSOJDW-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.45
TPSA
75.63

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-2.57

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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