[email protected]
CAS 69912-63-6 L-Serine, N-[(1,1-diMethylethoxy)carbonyl]-O-Methyl-, coMpd. with N-cyclohexylcyclohexanaMine (1:1) molecular structure lightbox
CAS RN: 69912-63-6

L-Serine, N-[(1,1-diMethylethoxy)carbonyl]-O-Methyl-, coMpd. with N-cyclohexylcyclohexanaMine (1:1)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS69912-63-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

69912-63-6 / N-cyclohexylcyclohexanamine;(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 69912-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69912-63-6
Multi CAS
Yes
Molecular Formula
C21H40N2O5
Molecular Weight
400.600000
Exact Mass
400.293722
InChI
InChI=1S/C12H23N.C9H17NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h11-13H,1-10H2;6H,5H2,1-4H3,(H,10,13)(H,11,12)/t;6-/m.0/s1
InChIKey
IHZHDSHEYMELJP-ZCMDIHMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
109.55
TPSA
96.89

LogP / Solubility

WLOGP
3.85
MLOGP
3.41
XLogP3
3.85
Consensus LogP
3.7
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us