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CAS 145315-39-5 Z-ARG(BOC)2-OH CHA molecular structure lightbox
CAS RN: 145315-39-5

Z-ARG(BOC)2-OH CHA

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS145315-39-5
  • Purity/Analytical Methods: >99.0%
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145315-39-5 / (2S)-5-[[amino-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine

Standard CAS: 145315-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145315-39-5
Multi CAS
No
Molecular Formula
C30H49N5O8
Molecular Weight
607.700000
Exact Mass
607.358114
SMILES
CC(C)(C)OC(=O)N(C(=NCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)N)C(=O)OC(C)(C)C.C1CCC(CC1)N
InChI
InChI=1S/C24H36N4O8.C6H13N/c1-23(2,3)35-21(32)28(22(33)36-24(4,5)6)19(25)26-14-10-13-17(18(29)30)27-20(31)34-15-16-11-8-7-9-12-16;7-6-4-2-1-3-5-6/h7-9,11-12,17H,10,13-15H2,1-6H3,(H2,25,26)(H,27,31)(H,29,30);6H,1-5,7H2/t17-;/m0./s1
InChIKey
QBGRVFFDXXNSRE-LMOVPXPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
4
Molar refractivity
162.28
TPSA
195.87

LogP / Solubility

WLOGP
4.91
MLOGP
4.37
XLogP3
4.91
Consensus LogP
4.73
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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