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CAS 1802924-15-7 tert-butyl(5-amino-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)carbamate molecular structure lightbox
CAS RN: 1802924-15-7

tert-butyl(5-amino-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)carbamate

  • Product code: SSC-080723
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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 1802924-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1802924-15-7 / tert-butyl N-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]carbamate

Standard CAS: 1802924-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1802924-15-7
Multi CAS
No
Molecular Formula
C17H30N4O3
Molecular Weight
338.400000
Exact Mass
338.231791
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)N)N(C)CCN(C)C)OC
InChI
InChI=1S/C17H30N4O3/c1-17(2,3)24-16(22)19-13-10-12(18)14(11-15(13)23-7)21(6)9-8-20(4)5/h10-11H,8-9,18H2,1-7H3,(H,19,22)
InChIKey
UXTORUSZNFZEPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
99.09
TPSA
80.06

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.28
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.92

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
2.5

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