PL2YY3Rre7
TL;DR: PL2YY3Rre7 (CAS 242140-32-5) is a chemical compound with molecular formula C28H35N3O6S and molecular weight 541.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,18S,19R,20S)-3-acetyl-18-(3-methyl-3-nitrososulfanylbutanoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
Also Known As: sno-yohimbine, NMI187, Methyl (1S,15R,18S,19R,20S)-3-acetyl-18-(3-methyl-3-nitrososulfanylbutanoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate, Yohimban-16-carboxylic acid, 1-acetyl-17-(3-methyl-3-(nitrosothio)-1-oxobutoxy)-, methyl ester, (16alpha,17alpha)-, YOHIMBAN-16-CARBOXYLIC ACID, 1-ACETYL-17-(3-METHYL-3-(NITROSOTHIO)-1-OXOBUTOXY)-, METHYL ESTER, (16.ALPHA.,17.ALPHA.)-
| Molecular Formula | C28H35N3O6S |
|---|---|
| Molecular Weight | 541.22 g/mol |
| LogP | 4.9148 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.2247 |
| Heavy Atoms | 38 |
| Complexity | 1272.7551 |
Chemical Identifiers
| CAS Number | 242140-32-5 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C3=C1[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)OC)OC(=O)CC(C)(C)SN=O)CN4CC3 |
Product Overview
PL2YY3Rre7 (CAS 242140-32-5), with molecular formula C28H35N3O6S and molecular weight 541.22 g/mol. IUPAC: methyl (1S,15R,18S,19R,20S)-3-acetyl-18-(3-methyl-3-nitrososulfanylbutanoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate.
Chemical Property Profile of PL2YY3Rre7
Property Insights of PL2YY3Rre7
The XLogP value of 4.9148 indicates that PL2YY3Rre7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.27 Ų falls within the moderate polarity range, balancing permeability and solubility for PL2YY3Rre7. Following Lipinski's Rule of Five, PL2YY3Rre7 has 0 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 PL2YY3Rre7?
The CAS number of PL2YY3Rre7 is 242140-32-5.
What is the molecular formula of PL2YY3Rre7?
The molecular formula of PL2YY3Rre7 is C28H35N3O6S.
What is the molecular weight of PL2YY3Rre7?
The molecular weight of PL2YY3Rre7 is 541.22 g/mol.
Where can I buy PL2YY3Rre7?
You can request a quote for PL2YY3Rre7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PL2YY3Rre7?
Yes, KEHONG BIO provides custom synthesis services for PL2YY3Rre7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.