MC 4 (lactone)
TL;DR: MC 4 (lactone) (CAS 81031-76-7) is a chemical compound with molecular formula C29H35NO9 and molecular weight 541.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: MC 4 (lactone), (7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C29H35NO9 |
|---|---|
| Molecular Weight | 541.23 g/mol |
| LogP | 2.2381 |
| Topological Polar Surface Area | 145.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.2312 |
| Heavy Atoms | 39 |
| Complexity | 1324.3219 |
Chemical Identifiers
| CAS Number | 81031-76-7 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O |
Product Overview
MC 4 (lactone) (CAS 81031-76-7), with molecular formula C29H35NO9 and molecular weight 541.23 g/mol. IUPAC: (7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of MC 4 (lactone)
Property Insights of MC 4 (lactone)
The XLogP value of 2.2381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MC 4 (lactone). The TPSA of 145.99 Ų indicates high polarity, suggesting MC 4 (lactone) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MC 4 (lactone) has 4 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 MC 4 (lactone)?
The CAS number of MC 4 (lactone) is 81031-76-7.
What is the molecular formula of MC 4 (lactone)?
The molecular formula of MC 4 (lactone) is C29H35NO9.
What is the molecular weight of MC 4 (lactone)?
The molecular weight of MC 4 (lactone) is 541.23 g/mol.
Where can I buy MC 4 (lactone)?
You can request a quote for MC 4 (lactone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MC 4 (lactone)?
Yes, KEHONG BIO provides custom synthesis services for MC 4 (lactone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.