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CAS 671816-04-9 (1R)-trans-4-[N-Boc-1-aminoethyl]-N-4-pyridinyl-cyclohexanecarboxamide molecular structure lightbox
CAS RN: 671816-04-9

(1R)-trans-4-[N-Boc-1-aminoethyl]-N-4-pyridinyl-cyclohexanecarboxamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS671816-04-9
  • Purity/Analytical Methods: >99.0%
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671816-04-9 / tert-butyl N-[(1R)-1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate

Standard CAS: 671816-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
671816-04-9
Multi CAS
Yes
Molecular Formula
C19H29N3O3
Molecular Weight
347.500000
Exact Mass
347.220892
InChI
InChI=1S/C19H29N3O3/c1-13(21-18(24)25-19(2,3)4)14-5-7-15(8-6-14)17(23)22-16-9-11-20-12-10-16/h9-15H,5-8H2,1-4H3,(H,21,24)(H,20,22,23)/t13-,14?,15?/m1/s1
InChIKey
YHCODQSFLBHLDV-WLYUNCDWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.15
TPSA
80.32

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
2.6
Consensus LogP
3.22
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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