CID 73555
TL;DR: CID 73555 (CAS 97816-62-1) is a chemical compound with molecular formula C27H22N2O10S2 and molecular weight 598.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,9S,24S,25S,32R)-20,24,32-trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12(17),13,15,19,21,23(31)-octaene-11,28,30-trione
Also Known As: Emestrin, KST-1A0151, (1r,3r,9s,24s,25s,32r)-20,24,32-trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12,14,16,19(31),20,22-octaene-11,28,30-trione(non-preferred name), (1R,3R,9S,24S,25S,32R)-20,24,32-Trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12(17),13,15,19,21,23(31)-octaene-11,28,30-trione
| Molecular Formula | C27H22N2O10S2 |
|---|---|
| Molecular Weight | 598.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 598.0716 |
| Heavy Atoms | 41 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 97816-62-1 |
|---|---|
| SMILES | CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@@H]4N2C(=O)[C@]1([C@H](C6=CC(=C(C=C6)O)OC7=C(C=CC=C7OC)C(=O)O5)O)SS3)O |
| InChIKey | VASYTSFNISZKEL-DCTKBWBHSA-N |
Product Overview
CID 73555 (CAS 97816-62-1), with molecular formula C27H22N2O10S2 and molecular weight 598.07 g/mol. IUPAC: (1R,3R,9S,24S,25S,32R)-20,24,32-trihydroxy-16-methoxy-29-methyl-6,10,18-trioxa-26,27-dithia-2,29-diazaheptacyclo[23.2.2.11,4.12,25.119,23.03,9.012,17]dotriaconta-4,7,12(17),13,15,19,21,23(31)-octaene-11,28,30-trione.
Chemical Property Profile of CID 73555
Property Insights of CID 73555
The XLogP value of -0.1 indicates that CID 73555 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting CID 73555 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 73555 has 3 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 CID 73555?
The CAS number of CID 73555 is 97816-62-1.
What is the molecular formula of CID 73555?
The molecular formula of CID 73555 is C27H22N2O10S2.
What is the molecular weight of CID 73555?
The molecular weight of CID 73555 is 598.07 g/mol.
Where can I buy CID 73555?
You can request a quote for CID 73555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 73555?
Yes, KEHONG BIO provides custom synthesis services for CID 73555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.