Dynemicin S
TL;DR: Dynemicin S (CAS 132645-97-7) is a chemical compound with molecular formula C33H27NO11S and molecular weight 645.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,7S,14S)-3,20,23,27-tetrahydroxy-6-methoxy-2-(2-methoxy-2-oxoethyl)sulfanyl-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid
Also Known As: Dynemicin S, (Methylcyclopentadienyl)(1,5-cyclooctadiene)iridium(I)(-Ir), 9,8,14-(1)Buten(1)yl(4)ylideneanthra(1,2-b)benz(f)azocine-19-carboxylic acid, 5,8,9,14,15,16-hexahydro-1,4,6,17-tetrahydroxy-20-methoxy-8-((2-methoxy-2-oxoethyl)thio)-18-methyl-5,16-dioxo-, (8R-(6alpha,9beta,14beta,17R*,18S*))-, (2R,3R,4S,7S,14S)-3,20,23,27-tetrahydroxy-6-methoxy-2-(2-methoxy-2-oxoethyl)sulfanyl-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid, (8R,9S,14S,17R,18S)-1,4,6,17-Tetrahydroxy-20-methoxy-8-[(2-methoxy-2-oxoethyl)sulfanyl]-18-methyl-5,16-dioxo-5,8,9,14,15,16-hexahydro-9,8,14-(but[1]ene[1,4,4]triyl)anthra[1,2-b]benzo[f]azocine-19-carboxylic acid
| Molecular Formula | C33H27NO11S |
|---|---|
| Molecular Weight | 645.13 g/mol |
| LogP | 3.3102 |
| Topological Polar Surface Area | 199.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 645.1305 |
| Heavy Atoms | 46 |
| Complexity | 1986.0762 |
Chemical Identifiers
| CAS Number | 132645-97-7 |
|---|---|
| SMILES | C[C@H]1C(=C([C@@H]2C3=CC=CC=C3[C@H]4[C@]1([C@@]2(C5=CC(=C6C(=C5N4)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)SCC(=O)OC)O)OC)C(=O)O |
Product Overview
Dynemicin S (CAS 132645-97-7), with molecular formula C33H27NO11S and molecular weight 645.13 g/mol. IUPAC: (2R,3R,4S,7S,14S)-3,20,23,27-tetrahydroxy-6-methoxy-2-(2-methoxy-2-oxoethyl)sulfanyl-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid.
Chemical Property Profile of Dynemicin S
Property Insights of Dynemicin S
The XLogP value of 3.3102 indicates that Dynemicin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.92 Ų indicates high polarity, suggesting Dynemicin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dynemicin S has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dynemicin S?
The CAS number of Dynemicin S is 132645-97-7.
What is the molecular formula of Dynemicin S?
The molecular formula of Dynemicin S is C33H27NO11S.
What is the molecular weight of Dynemicin S?
The molecular weight of Dynemicin S is 645.13 g/mol.
Where can I buy Dynemicin S?
You can request a quote for Dynemicin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dynemicin S?
Yes, KEHONG BIO provides custom synthesis services for Dynemicin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.