Raocyclamide A
TL;DR: Raocyclamide A (CAS 174846-65-2) is a chemical compound with molecular formula C27H30N6O5S and molecular weight 550.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
Also Known As: Raocyclamide A, (1~4~R,4S,8S,12R)-12-Benzyl-8-[(2S)-butan-2-yl]-4-methyl-3,7,11-triaza-1(4,2),5(2,4)-di([1,3]oxazola)-9(2,4)-[1,3]thiazolacyclododecaphane-2,6,10-trione, (4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione, 6,13-Dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo(172115,8112,15)tetracosa-5(24),12(23),14,19(22),21-pentaene-2,9,16-trione, 11-methyl-18-((1S)-1-methylpropyl)-4-(phenylmethyl)-, (4R,8R,11S,18S)-, 6,13-Dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo(172115,8112,15)tetracosa-5(24),12(23),14,19(22),21-pentaene-2,9,16-trione, 11-methyl-18-(1-methylpropyl)-4-(phenylmethyl)-, (4R-(4R*,8R*,11S*,18S*(S*)))-
| Molecular Formula | C27H30N6O5S |
|---|---|
| Molecular Weight | 550.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.1998 |
| Heavy Atoms | 39 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 174846-65-2 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N[C@@H](C3=N[C@H](CO3)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C)CC5=CC=CC=C5 |
| InChIKey | PNCLWRPJCHTJRB-XJSPYZKOSA-N |
Product Overview
Raocyclamide A (CAS 174846-65-2), with molecular formula C27H30N6O5S and molecular weight 550.20 g/mol. IUPAC: (4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione.
Chemical Property Profile of Raocyclamide A
Property Insights of Raocyclamide A
The XLogP value of 3.0 indicates that Raocyclamide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting Raocyclamide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raocyclamide A has 3 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 A?
The CAS number of Raocyclamide A is 174846-65-2.
What is the molecular formula of Raocyclamide A?
The molecular formula of Raocyclamide A is C27H30N6O5S.
What is the molecular weight of Raocyclamide A?
The molecular weight of Raocyclamide A is 550.20 g/mol.
Where can I buy Raocyclamide A?
You can request a quote for Raocyclamide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raocyclamide A?
Yes, KEHONG BIO provides custom synthesis services for Raocyclamide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.