6-Mcpdd
TL;DR: 6-Mcpdd (CAS 77145-92-7) is a chemical compound with molecular formula C47H62O4 and molecular weight 690.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,4bS,6aS,6bR,10aR,11aS,11bR)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b-dodecahydro-3H-indeno[2,1-a]phenanthren-2-one;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: 6-Mcpdd, 6-Methyl-16alpha,17alpha-cyclohexylpregna-4,6-dien-3,20-dione, (4aR,4bS,6aS,6bR,10aR,11aS,11bR)-6b-Acetyl-4a,6a,13-trimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-2H-indeno[2,1-a]phenanthren-2-one--(17xi)-3-methoxy-19-norpregna-1(10),2,4-trien-20-yn-17-ol (1/1), (4aR,4bS,6aS,6bR,10aR,11aS,11bR)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b-dodecahydro-3H-indeno[2,1-a]phenanthren-2-one; (8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol, (4aR,4bS,6aS,6bR,10aR,11aS,11bR)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b-dodecahydro-3H-indeno[2,1-a]phenanthren-2-one;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
| Molecular Formula | C47H62O4 |
|---|---|
| Molecular Weight | 690.46 g/mol |
| LogP | 9.9755 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 690.4648 |
| Heavy Atoms | 51 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 77145-92-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2C[C@@H]4[C@@]3(CCCC4)C(=O)C)C)[C@@]5(C1=CC(=O)CC5)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | FLAZWVDBJRUOAH-XBTXHGATSA-N |
Product Overview
6-Mcpdd (CAS 77145-92-7), with molecular formula C47H62O4 and molecular weight 690.46 g/mol. IUPAC: (4aR,4bS,6aS,6bR,10aR,11aS,11bR)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b-dodecahydro-3H-indeno[2,1-a]phenanthren-2-one;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 6-Mcpdd
Property Insights of 6-Mcpdd
The XLogP value of 9.9755 indicates that 6-Mcpdd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Mcpdd. Following Lipinski's Rule of Five, 6-Mcpdd has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Mcpdd?
The CAS number of 6-Mcpdd is 77145-92-7.
What is the molecular formula of 6-Mcpdd?
The molecular formula of 6-Mcpdd is C47H62O4.
What is the molecular weight of 6-Mcpdd?
The molecular weight of 6-Mcpdd is 690.46 g/mol.
Where can I buy 6-Mcpdd?
You can request a quote for 6-Mcpdd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mcpdd?
Yes, KEHONG BIO provides custom synthesis services for 6-Mcpdd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.