Raocyclamide B
TL;DR: Raocyclamide B (CAS 174846-66-3) is a chemical compound with molecular formula C27H32N6O6S and molecular weight 568.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-4-butan-2-yl-14-(hydroxymethyl)-17-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Also Known As: Raocyclamide B, 19-Oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo(162115,8)docosa-5(22),7,18(21),20-tetraene-2,9,12,15-tetrone, 14-(hydroxymethyl)-17-methyl-4-((1S)-1-methylpropyl)-11-(phenylmethyl)-, (4S,11R,14R,17S)-, 19-Oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo(162115,8)docosa-5(22),7,18(21),20-tetraene-2,9,12,15-tetrone, 14-(hydroxymethyl)-17-methyl-4-(1-methylpropyl)-11-(phenylmethyl)-, (4S-(4R*(R*),11S*,14S*,17R*))-, 8-Benzyl-4-(butan-2-yl)-11-(hydroxymethyl)-14-methyl-3,7,10,13-tetraaza-1(4,2)-[1,3]oxazola-5(2,4)-[1,3]thiazolacyclotetradecaphane-2,6,9,12-tetrone
| Molecular Formula | C27H32N6O6S |
|---|---|
| Molecular Weight | 568.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.2104 |
| Heavy Atoms | 40 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 174846-66-3 |
|---|---|
| SMILES | CCC(C)C1C2=NC(=CS2)C(=O)NC(C(=O)NC(C(=O)NC(C3=NC(=CO3)C(=O)N1)C)CO)CC4=CC=CC=C4 |
| InChIKey | YHWCLQASEOOYBT-UHFFFAOYSA-N |
Product Overview
Raocyclamide B (CAS 174846-66-3), with molecular formula C27H32N6O6S and molecular weight 568.21 g/mol. IUPAC: 11-benzyl-4-butan-2-yl-14-(hydroxymethyl)-17-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone.
Chemical Property Profile of Raocyclamide B
Property Insights of Raocyclamide B
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Raocyclamide B. The TPSA of 204.0 Ų indicates high polarity, suggesting Raocyclamide B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raocyclamide B has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raocyclamide B?
The CAS number of Raocyclamide B is 174846-66-3.
What is the molecular formula of Raocyclamide B?
The molecular formula of Raocyclamide B is C27H32N6O6S.
What is the molecular weight of Raocyclamide B?
The molecular weight of Raocyclamide B is 568.21 g/mol.
Where can I buy Raocyclamide B?
You can request a quote for Raocyclamide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raocyclamide B?
Yes, KEHONG BIO provides custom synthesis services for Raocyclamide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.