[email protected]
CAS 210755-31-0 FMOC-D-HIS(BOC)-OH CHA molecular structure lightbox
CAS RN: 210755-31-0

FMOC-D-HIS(BOC)-OH CHA

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251228 1g In stock Inquiry
Batchno.20251108 5g In stock Inquiry
  • Product code: starshine_CAS210755-31-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

210755-31-0 / cyclohexanamine;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid

Standard CAS: 210755-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210755-31-0
Multi CAS
No
Molecular Formula
C32H40N4O6
Molecular Weight
576.700000
Exact Mass
576.294785
SMILES
CC(C)(C)OC(=O)N1C=C(N=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.C1CCC(CC1)N
InChI
InChI=1S/C26H27N3O6.C6H13N/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;7-6-4-2-1-3-5-6/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31);6H,1-5,7H2/t22-;/m1./s1
InChIKey
UDEXYAHZNOKVIG-VZYDHVRKSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
158.25
TPSA
145.77

LogP / Solubility

WLOGP
5.48
MLOGP
4.87
XLogP3
5.48
Consensus LogP
5.28
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us