CAS RN: 221905-35-7
Rp-8-CPT-Cyclic AMP (sodium salt)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 500μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS221905-35-7
- Purity/Analytical Methods: >99.0%
221905-35-7 / sodium (4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Basic Information
CAS
221905-35-7
Multi CAS
No
Molecular Formula
C16H14ClN5NaO5PS2
Molecular Weight
509.900000
Exact Mass
508.976020
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SC5=CC=C(C=C5)Cl)N)O)OP(=S)(O1)[O-].[Na+]
InChI
InChI=1S/C16H15ClN5O5PS2.Na/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(26-15)5-25-28(24,29)27-12;/h1-4,6,9,11-12,15,23H,5H2,(H,24,29)(H2,18,19,20);/q;+1/p-1/t9-,11-,12-,15-,28?;/m1./s1
InChIKey
AWXMSJRRXLCVMW-JVSRKQJHSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
12
H-bond donors
2
Molar refractivity
110.34
TPSA
140.6
LogP / Solubility
WLOGP
-1.52
MLOGP
-1.3
XLogP3
-1.52
Consensus LogP
-1.45
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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