P-3007
TL;DR: P-3007 (CAS 115756-35-9) is a chemical compound with molecular formula C46H53N7O8 and molecular weight 831.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Also Known As: P-3007, P 3007, Dihydroergocristine mixture with 5-hydroxytryptophan, (6Ar,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, L-Tryptophan, 5-hydroxy-, mixt. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methyethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
| Molecular Formula | C46H53N7O8 |
|---|---|
| Molecular Weight | 831.40 g/mol |
| LogP | 3.5451 |
| Topological Polar Surface Area | 217.55 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 831.39557 |
| Heavy Atoms | 61 |
| Complexity | 2520.5205 |
Chemical Identifiers
| CAS Number | 115756-35-9 |
|---|---|
| SMILES | CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N |
Product Overview
P-3007 (CAS 115756-35-9), with molecular formula C46H53N7O8 and molecular weight 831.40 g/mol. IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of P-3007
Property Insights of P-3007
The XLogP value of 3.5451 indicates that P-3007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.55 Ų indicates high polarity, suggesting P-3007 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P-3007 has 7 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 P-3007?
The CAS number of P-3007 is 115756-35-9.
What is the molecular formula of P-3007?
The molecular formula of P-3007 is C46H53N7O8.
What is the molecular weight of P-3007?
The molecular weight of P-3007 is 831.40 g/mol.
Where can I buy P-3007?
You can request a quote for P-3007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-3007?
Yes, KEHONG BIO provides custom synthesis services for P-3007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.