CAS RN: 1884710-81-9
Cbz-B3A
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.20260508 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1884710-81-9
- Purity/Analytical Methods: >99.0%
1884710-81-9 / benzyl N-[6-[[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]hexyl]carbamate
Basic Information
CAS
1884710-81-9
Multi CAS
No
Molecular Formula
C35H58N6O9
Molecular Weight
706.900000
Exact Mass
706.426527
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCCCCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C35H58N6O9/c1-33(2,3)48-30(44)39-26(20-17-23-37-28(40-31(45)49-34(4,5)6)41-32(46)50-35(7,8)9)27(42)36-21-15-10-11-16-22-38-29(43)47-24-25-18-13-12-14-19-25/h12-14,18-19,26H,10-11,15-17,20-24H2,1-9H3,(H,36,42)(H,38,43)(H,39,44)(H2,37,40,41,45,46)/t26-/m0/s1
InChIKey
JGEWUYSTHGIDHO-SANMLTNESA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
6
Fraction Csp3
0.66
Rotatable bonds
15
H-bond acceptors
10
H-bond donors
5
Molar refractivity
189.54
TPSA
194.78
LogP / Solubility
WLOGP
5.67
MLOGP
5.05
XLogP3
6.4
Consensus LogP
5.71
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-9.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.76
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
Yes
Log Kp (skin permeation)
-3.01
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
4.5
Customers Also Viewed
-
-
(R)-6-BROMO-4-METHYL-4,5-DIHYDRO-1H-BENZO[B][1,4]DIAZEPIN-2(3H)-ONE
- CAS RN: 1884712-55-3
- Product Code: SSC-087707
-
Benzoic acid, 4,4′,4”,4”’-(2,5,8,11-perylenetetrayl)tetrakis-
- CAS RN: 1885094-82-5
- Product Code: starshine_CAS1885094-82-5
- Purity/Analytical method: >99.0%
-
4,4′,4”,4”’-((1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrakis(methylene))tetrabenzoic acid
- CAS RN: 1886010-85-0
- Product Code: starshine_CAS1886010-85-0
- Purity/Analytical method: >99.0%
-
rel-tert-butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
- CAS RN: 1886799-52-5
- Product Code: SSC-087805
-
3-Isopropylbicyclo[1.1.1]pentan-1-amine hydrochloride
- CAS RN: 1886967-00-5
- Product Code: SSC-087812
![CAS 1884712-55-3 (R)-6-BROMO-4-METHYL-4,5-DIHYDRO-1H-BENZO[B][1,4]DIAZEPIN-2(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884712-55-3.gif)
![CAS 1886967-00-5 3-Isopropylbicyclo[1.1.1]pentan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1886967-00-5.gif)