![CAS 191868-14-1 N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-benzeneacetamideditrifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191868-14-1.gif)
CAS RN: 191868-14-1
N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-benzeneacetamideditrifluoroacetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS191868-14-1
- Purity/Analytical Methods: >99.0%
191868-14-1 / (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
191868-14-1
Multi CAS
No
Molecular Formula
C31H36F3N7O5
Molecular Weight
643.700000
Exact Mass
643.273002
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C29H35N7O3.C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);(H,6,7)/t24-;/m1./s1
InChIKey
FBMCYYWIBYEOST-GJFSDDNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
7
Molar refractivity
164.97
TPSA
215.02
LogP / Solubility
WLOGP
2.47
MLOGP
2.23
XLogP3
2.47
Consensus LogP
2.39
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.89
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 191919-02-5 (Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191919-02-5.gif)
