![CAS 1638750-95-4 c[A(2′,5′)pS[Rp]-A(3′,5′)pS[Rp]] / Rp,Rp-2’3′-c-diAMPSS molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638750-95-4.gif)
CAS RN: 1638750-95-4
c[A(2′,5′)pS[Rp]-A(3′,5′)pS[Rp]] / Rp,Rp-2’3′-c-diAMPSS
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1638750-95-4
- Purity/Analytical Methods: >99.0%
1638750-95-4 / disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
Basic Information
CAS
1638750-95-4
Multi CAS
No
Molecular Formula
C20H22N10Na2O10P2S2
Molecular Weight
734.500000
Exact Mass
734.023242
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=S)(O1)[O-])[S-])O.[Na+].[Na+]
InChI
InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41?,42?;;/m1../s1
InChIKey
GDWOOOCBNOMMTL-QYUKNOIISA-L
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
22
H-bond donors
4
Molar refractivity
150.21
TPSA
275.21
LogP / Solubility
WLOGP
-7.59
MLOGP
-6.61
XLogP3
-7.59
Consensus LogP
-7.26
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
1.62
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.59
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
10
Customers Also Viewed
-
ADU-S100 ammonium salt
- CAS RN: 1638750-96-5
- Product Code: starshine_CAS1638750-96-5
- Purity/Analytical method: >99.0%
-
2-amino-2-(3-methyloxetan-3-yl)acetic acid
- CAS RN: 1638759-43-9
- Product Code: starshine_CAS1638759-43-9
- Purity/Analytical method: >99.0%
-
4-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1638759-60-0
- Product Code: SSC-071298
-
tert-butyl 3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
- CAS RN: 1638759-62-2
- Product Code: SSC-071299
-
methyl 5-bromo-6-fluoro-1H-indole-3-carboxylate
- CAS RN: 1638759-63-3
- Product Code: SSC-071300
-
1-(BOC-AMINOMETHYL)-3,3-DFLUOROCYCLOBUTANE-1-METHAMINE
- CAS RN: 1638759-66-6
- Product Code: starshine_CAS1638759-66-6
- Purity/Analytical method: >99.0%
![CAS 1638759-60-0 4-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638759-60-0.gif)
