CAS RN: 2310135-18-1
N-deacetylated BMS-202
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251005 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2310135-18-1
- Purity/Analytical Methods: >99.0%
2310135-18-1 / N'-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl]ethane-1,2-diamine
Basic Information
CAS
2310135-18-1
Multi CAS
No
Molecular Formula
C23H27N3O2
Molecular Weight
377.500000
Exact Mass
377.210327
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCN)OC
InChI
InChI=1S/C23H27N3O2/c1-17-20(9-6-10-21(17)18-7-4-3-5-8-18)16-28-22-12-11-19(15-25-14-13-24)23(26-22)27-2/h3-12,25H,13-16,24H2,1-2H3
InChIKey
IVGJGWNPAKJGGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
112.5
TPSA
69.4
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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