.gif)
CAS RN: 1356930-62-5
Bendamustine Bis-mercapturic Acid-d6
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.20260606 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356930-62-5
- Purity/Analytical Methods: >99.0%
1356930-62-5 / 4-[5-[bis[2-[(2R)-2-carboxy-2-[(2,2,2-trideuterioacetyl)amino]ethyl]sulfanylethyl]amino]-1-methylbenzimidazol-2-yl]butanoic acid
Basic Information
CAS
1356930-62-5
Multi CAS
No
Molecular Formula
C26H37N5O8S2
Molecular Weight
617.800000
Exact Mass
617.246016
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)O)NC(=O)C([2H])([2H])[2H])C1=CC2=C(C=C1)N(C(=N2)CCCC(=O)O)C)C(=O)O
InChI
InChI=1S/C26H37N5O8S2/c1-16(32)27-20(25(36)37)14-40-11-9-31(10-12-41-15-21(26(38)39)28-17(2)33)18-7-8-22-19(13-18)29-23(30(22)3)5-4-6-24(34)35/h7-8,13,20-21H,4-6,9-12,14-15H2,1-3H3,(H,27,32)(H,28,33)(H,34,35)(H,36,37)(H,38,39)/t20-,21-/m0/s1/i1D3,2D3
InChIKey
YSTNDPUOARKGRL-GFRDMBKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
5
Molar refractivity
158.63
TPSA
191.16
LogP / Solubility
WLOGP
1.43
MLOGP
1.31
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 1356931-00-4 Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-[[(S)-2-(formylamino)-4-(methyl-d3)-pentanoyl]oxy]hexadecanoate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-[[(S)-2-(formylamino)-4-(methyl-d3)-pentanoyl]oxy]hexadecanoate
- CAS RN: 1356931-00-4
- Product Code: starshine_CAS1356931-00-4
- Purity/Analytical method: >99.0%
-
N-(Acetyl-d3)-S-(3-carboxy-2-propyl)-L-cysteine Disodium Salt
- CAS RN: 1356933-73-7
- Product Code: starshine_CAS1356933-73-7
- Purity/Analytical method: >99.0%
-
N-Acetyl Glufosinate-d3 DisodiuM Salt
- CAS RN: 1356933-74-8
- Product Code: starshine_CAS1356933-74-8
- Purity/Analytical method: >99.0%
-
N-Acetyl-S-(2-hydroxypropyl)cysteine-d3 DicyclohexylaMMoniuM Salt
- CAS RN: 1356934-59-2
- Product Code: starshine_CAS1356934-59-2
- Purity/Analytical method: >99.0%
-
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione
- CAS RN: 1356935-80-2
- Product Code: starshine_CAS1356935-80-2
- Purity/Analytical method: >99.0%
-
trans-4-[(dimethylamino)methyl]cyclohexan-1-amine dihydrochloride
- CAS RN: 1356954-01-2
- Product Code: SSC-044240
![CAS 1356931-00-4 Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-[[(S)-2-(formylamino)-4-(methyl-d3)-pentanoyl]oxy]hexadecanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356931-00-4.gif)
.gif)
![CAS 1356935-80-2 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356935-80-2.gif)
![CAS 1356954-01-2 trans-4-[(dimethylamino)methyl]cyclohexan-1-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356954-01-2.gif)