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CAS 1807503-90-7 Ald-Ph-PEG2-NHBoc molecular structure lightbox
CAS RN: 1807503-90-7

Ald-Ph-PEG2-NHBoc

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 1g Out of stock 15 business days Inquiry
  • Product code: SSC-081958
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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 1807503-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1807503-90-7 / tert-butyl N-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 1807503-90-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807503-90-7
Multi CAS
No
Molecular Formula
C19H28N2O6
Molecular Weight
380.400000
Exact Mass
380.194737
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C19H28N2O6/c1-19(2,3)27-18(24)21-9-11-26-13-12-25-10-8-20-17(23)16-6-4-15(14-22)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKey
MSCITXKKGMUNOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
100.04
TPSA
102.96

LogP / Solubility

WLOGP
1.79
MLOGP
1.59
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.94
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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