Dolastatin 3
TL;DR: Dolastatin 3 (CAS 80387-90-2) is a chemical compound with molecular formula C29H40N8O6S2 and molecular weight 660.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(11S,17S,20S,23S)-20-(2-methylpropyl)-2,9,12,18,21-pentaoxo-11-propan-2-yl-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-1(26),5(28),7,24(27)-tetraen-23-yl]propanamide
Also Known As: Dolastatin 3, J1.254.563K, 3-(10-(2-methylpropyl)-2,8,11,14,21-pentaoxo-13-propan-2-yl-18,25-dithia-3,9,12,15,22,27,28-heptazatetracyclo(22.2.1.117,20.03,7)octacosa-1(26),17(28),19,24(27)-tetraen-16-yl)propanamide, 3-(20-(2-methylpropyl)-2,9,12,18,21-pentaoxo-11-propan-2-yl-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo(22.2.1.15,8.013,17)octacosa-1(26),5(28),7,24(27)-tetraen-23-yl)propanamide, 3-[(8S,10~2~S,13S,16S)-13-(2-Methylpropyl)-2,6,9,11,14-pentaoxo-8-(propan-2-yl)-3,7,12,15-tetraaza-1(4,2),5(2,4)-di([1,3]thiazola)-10(1,2)-pyrrolidinacyclohexadecaphan-16-yl]propanamide
| Molecular Formula | C29H40N8O6S2 |
|---|---|
| Molecular Weight | 660.25 g/mol |
| LogP | 1.2423 |
| Topological Polar Surface Area | 205.58 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 660.2512 |
| Heavy Atoms | 45 |
| Complexity | 1439.111 |
Chemical Identifiers
| CAS Number | 80387-90-2 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C2=NC(=CS2)C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N1)C(C)C)CCC(=O)N |
Product Overview
Dolastatin 3 (CAS 80387-90-2), with molecular formula C29H40N8O6S2 and molecular weight 660.25 g/mol. IUPAC: 3-[(11S,17S,20S,23S)-20-(2-methylpropyl)-2,9,12,18,21-pentaoxo-11-propan-2-yl-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-1(26),5(28),7,24(27)-tetraen-23-yl]propanamide.
Chemical Property Profile of Dolastatin 3
Property Insights of Dolastatin 3
The XLogP value of 1.2423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dolastatin 3. The TPSA of 205.58 Ų indicates high polarity, suggesting Dolastatin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dolastatin 3 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dolastatin 3?
The CAS number of Dolastatin 3 is 80387-90-2.
What is the molecular formula of Dolastatin 3?
The molecular formula of Dolastatin 3 is C29H40N8O6S2.
What is the molecular weight of Dolastatin 3?
The molecular weight of Dolastatin 3 is 660.25 g/mol.
Where can I buy Dolastatin 3?
You can request a quote for Dolastatin 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dolastatin 3?
Yes, KEHONG BIO provides custom synthesis services for Dolastatin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.