[email protected]
CAS 750649-42-4 (1R,3R)-3-(((Benzyloxy)Carbonyl)Amino)Cyclohexyl Acetate* molecular structure lightbox
CAS RN: 750649-42-4

(1R,3R)-3-(((Benzyloxy)Carbonyl)Amino)Cyclohexyl Acetate*

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS750649-42-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

750649-42-4 / [(1R,3R)-3-(phenylmethoxycarbonylamino)cyclohexyl] acetate

Standard CAS: 750649-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
750649-42-4
Multi CAS
Yes
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
InChI
InChI=1S/C16H21NO4/c1-12(18)21-15-9-5-8-14(10-15)17-16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKey
HONUIJYJMHZWAO-HUUCEWRRSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.57
TPSA
64.63

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us