Crisamicin C
TL;DR: Crisamicin C (CAS 100630-79-3) is a chemical compound with molecular formula C32H22O13 and molecular weight 614.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-5-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione
Also Known As: Crisamicin C, CRS-C, 7-hydroxy-5-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione, 10-Hydroxy-8-(10-hydroxy-5-methyl-2,6,11-trioxo-3,3a,5,6,11,11b-hexahydro-2H-furo[3,2-b]naphtho[2,3-d]pyran-8-yl)-5-methyl-3a,11b-dihydro-5H-5a,11a-epoxyfuro[3,2-b]naphtho[2,3-d]pyran-2,6,11(3H)-trione, 5a,11a-Epoxy-5H-furo(3,2-b)naphtho(2,3-d)pyran-2,6,11(3H)-trione, 8-(3,3a,5,6,11,11b-hexahydro-10-hydroxy-5-methyl-2,6,11-trioxo-2H-furo(3,2-b)naphtho(2,3-d)pyran-8-yl)-3a,11b-dihydro-10-hydroxy-5-methyl-
| Molecular Formula | C32H22O13 |
|---|---|
| Molecular Weight | 614.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 1 |
| Exact Mass | 614.106 |
| Heavy Atoms | 45 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 100630-79-3 |
|---|---|
| SMILES | CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C=C(C=C4O)C5=CC6=C(C(=C5)O)C(=O)C78C9C(CC(=O)O9)OC(C7(C6=O)O8)C |
| InChIKey | CHWSBZJOQBRSAL-UHFFFAOYSA-N |
Product Overview
Crisamicin C (CAS 100630-79-3), with molecular formula C32H22O13 and molecular weight 614.11 g/mol. IUPAC: 7-hydroxy-5-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione.
Chemical Property Profile of Crisamicin C
Property Insights of Crisamicin C
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crisamicin C. The TPSA of 192.0 Ų indicates high polarity, suggesting Crisamicin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crisamicin C has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crisamicin C?
The CAS number of Crisamicin C is 100630-79-3.
What is the molecular formula of Crisamicin C?
The molecular formula of Crisamicin C is C32H22O13.
What is the molecular weight of Crisamicin C?
The molecular weight of Crisamicin C is 614.11 g/mol.
Where can I buy Crisamicin C?
You can request a quote for Crisamicin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crisamicin C?
Yes, KEHONG BIO provides custom synthesis services for Crisamicin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.