3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone
TL;DR: 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone (CAS 70789-48-9) is a chemical compound with molecular formula C67H90N12O19 and molecular weight 1366.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[10,12-dimethyl-2-oxo-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]propanoic acid
Also Known As: 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone, 3-[10,12-dimethyl-2-oxo-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]propanoic acid, L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, (1->5),(1'->7)-diamide with 3-(2-carboxyethyl)-10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylicacid 10,5,5, L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, (1-5),(1'-7)-diamide with 3-(2-carboxyethyl)-10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-dicarboxylic acid
| Molecular Formula | C67H90N12O19 |
|---|---|
| Molecular Weight | 1366.64 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1366.6445 |
| Heavy Atoms | 98 |
| Complexity | 3160.0 |
Chemical Identifiers
| CAS Number | 70789-48-9 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)CCC(=O)O)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C |
| InChIKey | IPGSTTAFDIWQJQ-UHFFFAOYSA-N |
Product Overview
3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone (CAS 70789-48-9), with molecular formula C67H90N12O19 and molecular weight 1366.64 g/mol. IUPAC: 3-[10,12-dimethyl-2-oxo-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]propanoic acid.
Chemical Property Profile of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone
Property Insights of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone
The XLogP value of 3.8 indicates that 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 388.0 Ų indicates high polarity, suggesting 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone has 6 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone?
The CAS number of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone is 70789-48-9.
What is the molecular formula of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone?
The molecular formula of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone is C67H90N12O19.
What is the molecular weight of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone?
The molecular weight of 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone is 1366.64 g/mol.
Where can I buy 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone?
You can request a quote for 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone?
Yes, KEHONG BIO provides custom synthesis services for 3,10-Dihydroactinomycin D 3-(2-carboxyethyl)oxazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.