Bms 181532
TL;DR: Bms 181532 (CAS 146877-08-9) is a chemical compound with molecular formula C34H33NO16 and molecular weight 711.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: BMS 181532, D-Serine, N-((5-((6-deoxy-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, (2R)-3-Hydroxy-2-[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxamido]propanoic acid, (2R)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid, (2R)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
| Molecular Formula | C34H33NO16 |
|---|---|
| Molecular Weight | 711.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 711.17993 |
| Heavy Atoms | 51 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 146877-08-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)O |
| InChIKey | BAPLCDADJPBLHC-FVWPOHCESA-N |
Product Overview
Bms 181532 (CAS 146877-08-9), with molecular formula C34H33NO16 and molecular weight 711.18 g/mol. IUPAC: (2R)-3-hydroxy-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid.
Chemical Property Profile of Bms 181532
Property Insights of Bms 181532
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bms 181532. The TPSA of 290.0 Ų indicates high polarity, suggesting Bms 181532 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bms 181532 has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bms 181532?
The CAS number of Bms 181532 is 146877-08-9.
What is the molecular formula of Bms 181532?
The molecular formula of Bms 181532 is C34H33NO16.
What is the molecular weight of Bms 181532?
The molecular weight of Bms 181532 is 711.18 g/mol.
Where can I buy Bms 181532?
You can request a quote for Bms 181532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bms 181532?
Yes, KEHONG BIO provides custom synthesis services for Bms 181532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.