CAS RN: 1000995-47-0
ChloraMultilide B
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.20250611 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1000995-47-0
- Purity/Analytical Methods: >99.0%
1000995-47-0 / (1S,2S,4S,5S,7R,8S,9R,10S,16R,28E,33S,34S,36S,37R)-4,9,10,33-tetrahydroxy-1,8,13,28-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.14,8.02,16.05,7.010,14.016,39.033,37.034,36.015,40]tetraconta-13,15(40),19(39),28-tetraene-12,18,22,25,30-pentone
CHEMBL4095773 | AKOS040761488 | F92712
Basic Information
CAS
1000995-47-0
Multi CAS
Yes
Molecular Formula
C39H42O14
Molecular Weight
734.700000
Exact Mass
734.257456
SMILES
C/C/1=C\C(=O)OC[C@@]2([C@H]3C[C@@H]3[C@]4([C@H]2CC5=C(COC(=O)CCC(=O)OC1)C(=O)O[C@]56[C@H]4C[C@@]7([C@H]8C[C@H]8[C@]9(C7=C6C1=C(C(=O)O[C@@]1([C@@H]9O)O)C)C)O)C)O
InChI
InChI=1S/C39H42O14/c1-15-7-27(42)51-14-37(47)22-8-19(22)34(3)23(37)10-18-17(13-50-26(41)6-5-25(40)49-12-15)32(44)52-38(18)24(34)11-36(46)21-9-20(21)35(4)30(36)29(38)28-16(2)31(43)53-39(28,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20+,21-,22-,23+,24-,33+,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey
SHDVXCYXBYXGAR-SALMQSNDSA-N
Synonyms
CHEMBL4095773
AKOS040761488
F92712
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.67
H-bond acceptors
14
H-bond donors
4
Molar refractivity
174.01
TPSA
212.42
LogP / Solubility
WLOGP
1
MLOGP
0.94
XLogP3
-1.9
Consensus LogP
0.01
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly 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)
-6.5
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
-
ChloraMultilide D
- CAS RN: 1000995-49-2
- Product Code: starshine_CAS1000995-49-2
- Purity/Analytical method: >99.0%
-
-
CORM-401
- CAS RN: 1001015-18-4
- Product Code: starshine_CAS1001015-18-4
- Purity/Analytical method: >99.0%
-
2-AMINO-3-CARBAMOYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 1001020-08-1
- Product Code: SSC-000432
-
-
3-TRIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
- CAS RN: 1001020-14-9
- Product Code: SSC-000434
![CAS 1001020-08-1 2-AMINO-3-CARBAMOYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1001020-08-1.gif)
