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CAS 58810-11-0 Z-ARG(MBS)-OH DCHA molecular structure lightbox
CAS RN: 58810-11-0

Z-ARG(MBS)-OH DCHA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS58810-11-0
  • Purity/Analytical Methods: >99.0%
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58810-11-0 / (2S)-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;N-cyclohexylcyclohexanamine

Standard CAS: 58810-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58810-11-0
Multi CAS
Yes
Molecular Formula
C33H49N5O7S
Molecular Weight
659.800000
Exact Mass
659.335270
InChI
InChI=1S/C21H26N4O7S.C12H23N/c1-31-16-9-11-17(12-10-16)33(29,30)25-20(22)23-13-5-8-18(19(26)27)24-21(28)32-14-15-6-3-2-4-7-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,24,28)(H,26,27)(H3,22,23,25);11-13H,1-10H2/t18-;/m0./s1
InChIKey
YIFJUFKMGZAOPA-FERBBOLQSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
5
Molar refractivity
177.11
TPSA
181.44

LogP / Solubility

WLOGP
4.69
MLOGP
4.18
XLogP3
4.69
Consensus LogP
4.52
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.4
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
Yes
Log Kp (skin permeation)
-3.42

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
5

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