[email protected]
CAS 200192-48-9 BOC-D-ASN(XAN)-OH molecular structure lightbox
CAS RN: 200192-48-9

BOC-D-ASN(XAN)-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS200192-48-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

200192-48-9 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid

Standard CAS: 200192-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200192-48-9
Multi CAS
No
Molecular Formula
C22H24N2O6
Molecular Weight
412.400000
Exact Mass
412.163436
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1
InChIKey
YMGDQLXBNMRJMR-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
108.35
TPSA
113.96

LogP / Solubility

WLOGP
3.37
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85

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