NM135
TL;DR: NM135 (CAS 169453-84-3) is a chemical compound with molecular formula C60H62F2O13 and molecular weight 1028.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate
Also Known As: NM135, NM 135, J1.031.366J, Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16-methyl-21-((2,3,4,6-tetrakis-O-(4-methylbenzoyl)-beta-D-glucopyranosyl)oxy)-, (6alpha,11beta,16alpha)-, [(2R,3R,4S,5R,6R)-6-[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate
| Molecular Formula | C60H62F2O13 |
|---|---|
| Molecular Weight | 1028.42 g/mol |
| LogP | 9.24548 |
| Topological Polar Surface Area | 178.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 1028.4159 |
| Heavy Atoms | 75 |
| Complexity | 2916.3877 |
Chemical Identifiers
| CAS Number | 169453-84-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=C(C=C6)C)OC(=O)C7=CC=C(C=C7)C)OC(=O)C8=CC=C(C=C8)C)OC(=O)C9=CC=C(C=C9)C)C)O)F)C)F |
Product Overview
NM135 (CAS 169453-84-3), with molecular formula C60H62F2O13 and molecular weight 1028.42 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of NM135
Property Insights of NM135
The XLogP value of 9.24548 indicates that NM135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.03 Ų indicates high polarity, suggesting NM135 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NM135 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NM135?
The CAS number of NM135 is 169453-84-3.
What is the molecular formula of NM135?
The molecular formula of NM135 is C60H62F2O13.
What is the molecular weight of NM135?
The molecular weight of NM135 is 1028.42 g/mol.
Where can I buy NM135?
You can request a quote for NM135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NM135?
Yes, KEHONG BIO provides custom synthesis services for NM135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.